Phenylacetonitrile (Benzyl cyanide; BnCN) [CAS 140-29-4; InChIKey SUSQOBVLVYHIEX-UHFFFAOYSA-N

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1/77 CAS Registry Number: 140-29-4 Chemical Name: phenylacetonitrile; Phenylacetonitrile; Benzyl cyanide; Benzeneacetonitrile Linear Structure Formula: C6H5NCCH2 Molecular Formula: C8H7N Molecular Weight: 117.15 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-UHFFFAOYSA-N Note:

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Substance Label (206) Label References 7a

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Geisler, Karlheinz; Jacobs, Anke; Kuenzler, Andreas; Mathes, Manuela; Girrleit, Ilona; Zimmermann, Birgit; Bulka, Ehrenfried; Pfeiffer, Wolf-Diethard; Langer, Peter; Synlett; nb. 12; (2002); p. 1983 - 1986, View in Reaxys; Korbad, Balaji L.; Lee, Sang-Hyeup; Synlett; vol. 24; nb. 15; (2013); p. 1953 - 1958; Art.No: ST-2013-U0494-L, View in Reaxys

8a

Wang, Anlai; Tandel, Sagun; Zhang, Hongming; Holdeman, Terra C.; Biehl, Edward R.; Tetrahedron; vol. 54; nb. 50; (1998); p. 15113 - 15120, View in Reaxys; Lisowski, Vincent; Vu, Duc Nghia; Feng, Xiao; Rault, Sylvain; Synthesis; nb. 6; (2002); p. 753 - 756, View in Reaxys; Kamila, Sukanta; Koh, Benjamin; Biehl, Edward R.; Synthetic Communications; vol. 36; nb. 23; (2006); p. 3493 - 3507, View in Reaxys; Chen, Yahong; Tian, Fengshou; Song, Maoping; Lu, Shiwei; Heteroatom Chemistry; vol. 19; nb. 2; (2008); p. 211 - 214, View in Reaxys; Dinca, Emanuela; Hartmann, Philip; Smrcek, Jakub; Dix, Ina; Jones, Peter G.; Jahn, Ullrich; European Journal of Organic Chemistry; nb. 24; (2012); p. 4461 - 4482, View in Reaxys; Kim, Bo Ram; Lee, Hyung-Geun; Kang, Seung-Beom; Jung, Kwang-Ju; Sung, Gi Hyeon; Kim, Jeum-Jong; Lee, SangGyeong; Yoon, Yong-Jin; Tetrahedron; vol. 69; nb. 48; (2013); p. 10331 - 10336, View in Reaxys

3b

Corres, Nazaret; Delgado, Jacinto J.; Garcia-Valverde, Maria; Marcaccini, Stefano; Rodriguez, Teresa; Rojo, Josefa; Torroba, Tomas; Tetrahedron; vol. 64; nb. 9; (2008); p. 2225 - 2232, View in Reaxys; Salaheldin, Abdellatif M.; Khairou, Khalid S.; Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences; vol. 68; nb. 2; (2013); p. 175 - 181, View in Reaxys; Taratayko, Andrey I.; Becker, Christina S.; Grigor'ev, Igor A.; Gatilov, Yurii V.; Rybalova, Tatyana V.; Reznikov, Vladimir A.; Arkivoc; vol. 2013; nb. 4; (2013); p.

272 - 290, View in Reaxys

BnCN

Kasak, Peter; Putala, Martin; Collection of Czechoslovak Chemical Communications; vol. 65; nb. 5; (2000); p. 729 - 740, View in Reaxys; Ding, Zongbiao; Xia, Shijing; Ji, Xiaojun; Yang, Haiyan; Tao, Fenggang; Wang, Quanrui; Synthesis; nb. 3; (2002); p. 349 - 354, View in Reaxys; Vasse, Jean-Luc; Szymoniak, Jan; Tetrahedron Letters; vol. 45; nb. 34; (2004); p. 6449 - 6451, View in Reaxys; Connolly, David J.; Lacey, Patrick M.; McCarthy, Mary; Saunders, Cormac P.; Carroll, Anne-Marie; Goddard, Richard; Guiry, Patrick J.; Journal of Organic Chemistry; vol. 69; nb. 20; (2004); p. 6572 - 6589, View in Reaxys; Sajiki, Hironao; Ikawa, Takashi; Hirota, Kosaku; Organic Letters; vol. 6; nb. 26; (2004); p. 4977 - 4980, View in Reaxys; Voronkov, Michael V.; Gontcharov, Alexander V.; Wang, Zhi-Min; Richardson, Paul F.; Kolb, Hartmuth C.; Tetrahedron; vol. 60; nb. 41; (2004); p. 9043 - 9048, View in Reaxys; Zhao, Baowei; Lu, Xiyan; Tetrahedron Letters; vol. 47; nb. 38; (2006); p. 6765 - 6768, View in Reaxys; Naidu, B. Narasimhulu; Synlett; nb. 4; (2008); p. 547 - 550, View in Reaxys; Yoshida, Hisao; Fujimura, Yuki; Yuzawa, Hayato; Kumagai, Jun; Yoshida, Tomoko; Chemical Communications; vol. 49; nb. 36; (2013); p. 3793 - 3795, View in Reaxys

8b

Medrasi, Hanadi Y.; Al-Sheikh, Mariam Abdullah; Salaheldin, Abdellatif Mohamed; Molecules; vol. 18; nb.

1; (2013); p. 535 - 544, View in Reaxys

1p

Ramadhar, Timothy R.; Bansagi, Jazmin; Batey, Robert A.; Journal of Organic Chemistry; vol. 78; nb. 3; (2013); p. 1216 - 1221, View in Reaxys; Vernekar, Amit A.; Patil, Sagar; Bhat, Chinmay; Tilve, Santosh G.; RSC Advances; vol. 3; nb. 32; (2013); p. 13243 - 13250, View in Reaxys

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36

Brokl, Michal; Fauconnier, Marie-Laure; Benini, Celine; Lognay, Georges; Du Jardin, Patrick; Focant, Jean-Francois; Molecules; vol. 18; nb. 2; (2013); p. 1783 - 1797, View in Reaxys

4h

Rai, Ankita; Yadav, Lal Dhar S.; European Journal of Organic Chemistry; nb. 10; (2013); p. 1889 - 1893, View in Reaxys

3s

Huang, Bo; Tian, Haiwen; Lin, Shoushuai; Xie, Meihua; Yu, Xiaochun; Xu, Qing; Tetrahedron Letters; vol. 54; nb. 22; (2013); p. 2861 - 2864, View in Reaxys

10

Yang, Ha Yun; Tae, Jinsung; Seo, Yong Wan; Kim, Yoon Jung; Im, Hye Yeon; Choi, Gil Don; Cho, Heeyeong; Park, Woo-Kyu; Kwon, Oh Seung; Cho, Yong Seo; Ko, Minkyung; Jang, Hyunseo; Lee, Jaeick; Choi, Kihang; Kim, Chan-Hwa; Lee, Jiyoun; Pae, Ae Nim; European Journal of Medicinal Chemistry; vol. 63; (2013); p. 558 - 569, View in Reaxys

2k

Siddiqui, Zeba N.; Khan, Tabassum; Catalysis Science and Technology; vol. 3; nb. 8; (2013); p. 2032 - 2043, View in Reaxys

13

Oi, Norihito; Suzuki, Michiyuki; Terauchi, Taro; Tokunaga, Masaki; Nakatani, Yosuke; Yamamoto, Noboru; Fukumura, Toshimitsu; Zhang, Ming-Rong; Suhara, Tetsuya; Higuchi, Makoto; Journal of Medicinal Chemistry; vol. 56; nb. 16; (2013); p. 6371 - 6385, View in Reaxys

1k

Patil, Dipak R.; Wagh, Yogesh B.; Ingole, Pravin G.; Singh, Kripal; Dalal, Dipak S.; New Journal of Chemistry; vol. 37; nb. 10; (2013); p. 3261 - 3266, View in Reaxys

3'

Nasseri, Mohammad Ali; Sadeghzadeh, Seyed Mohsen; Journal of the Iranian Chemical Society; vol. 10; nb. 5; (2013); p. 1047 - 1056, View in Reaxys; Nasseri, Mohammad Ali; Sadeghzadeh, Seyed Mohsen; Monatshefte fur Chemie; vol. 144; nb. 10; (2013); p. 1551 - 1558, View in Reaxys

45

Taliani, Sabrina; Pugliesi, Isabella; Barresi, Elisabetta; Salerno, Silvia; Marchand, Christophe; Agama, Keli; Simorini, Francesca; La Motta, Concettina; Marini, Anna Maria; Di Leva, Francesco Saverio; Marinelli, Luciana; Cosconati, Sandro; Novellino, Ettore; Pommier, Yves; Di Santo, Roberto; Da Settimo, Federico; Journal of Medicinal Chemistry; vol. 56; nb. 18; (2013); p. 7458 - 7462, View in Reaxys

7

Chaudhry, Faryal; Asif, Nadia; Khan, Muhammad Naeem; Ribeiro, Jorge; Ather, Abdul Qayyum; Hina, Sajila; Munawar, Munawar Ali; Nasrullah, Muhammad; Ain, Qura Tul; Suhail, Farah; Khan, Misbahul Ain; Asian Journal of Chemistry; vol. 25; nb. 14; (2013); p. 7879 - 7882, View in Reaxys

2a; PhCH&2%CN Zhang, Chao; Liu, Chunmei; Shao, Ying; Bao, Xiaoguang; Wan, Xiaobing; Chemistry - A European Journal; vol. 19; nb. 52; (2013); p. 17917 - 17925, View in Reaxys 4k

Khan, Taukeer Ahmad; Peruncheralathan, Saravanan; Ila, Hiriyakkanavar; Junjappa, Hiriyakkanavar; Synlett; nb. 11; (2004); p. 2019 - 2021, View in Reaxys; Sengupta, Ritobroto; Weinreb, Steven M.; Synthesis (Germany); vol. 44; nb. 18; (2012); p. 2933 - 2937, View in Reaxys

2b

Bose, D. Subhas; Jayalakshmi; Journal of Organic Chemistry; vol. 64; nb. 5; (1999); p. 1713 - 1714, View in Reaxys; Tandel, Sagun; Wang, Anlai; Zhang, Hongming; Yousuf, Pervaiz; Biehl, Edward R.; Journal of the Chemical Society, Perkin Transactions 1; nb. 18; (2000); p. 3149 - 3153, View in Reaxys; Nandi, Sukumar; Syam Kumar; Ila, Hiriyakkanavar; Junjappa, Hiriyakkanavar; Journal of Organic Chemistry; vol. 67; nb. 14; (2002); p. 4916 - 4923, View in Reaxys; Okimoto, Mitsuhiro; Takahashi, Yukio; Bulletin of the Chemical Society of Japan; vol. 76; nb. 2; (2003); p. 427 - 428, View in Reaxys; Su, Weike; Cai, Hongfei; Yang, Bibo; Journal of Chemical Research; nb. 1; (2004); p. 87 - 88, View in Reaxys; Song, Ren-Jie; Wu, JiCheng; Liu, Yu; Deng, Guo-Bo; Wu, Cui-Yan; Wei, Wen-Ting; Li, Jin-Heng; Synlett; vol. 23; nb. 17; (2012); p. 2491 - 2496,6, View in Reaxys

2c

Singh, Harjit; Dolly; Chimni, Swapandeep Singh; Kumar, Subodh; Journal of Chemical Research, Miniprint; nb. 9; (1998); p. 2175 - 2185, View in Reaxys; Perosa, Alvise; Selva, Maurizio; Tundo, Pietro; Journal of the Chemical Society, Perkin Transactions 2; nb. 5; (2002); p. 1033 - 1037, View in Reaxys; Natekar; Samant; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 41; nb. 1; (2002); p. 187 - 190, View in Reaxys; Venkat Narsaiah; Sreenu; Nagaiah; Synthetic Communications; vol. 36; nb. 2; (2006); p. 137 - 140, View in Reaxys; Peng, Weimin; Zhao, Jingwei; Zhu, Shizheng; Synthesis; nb. 9; (2006); p. 1470 - 1474, View in Reaxys; Huang, Liping; Liu, Yang; Xie, Fuchun; Hu, Youhong; Organic Letters; vol. 14; nb. 24; (2012); p. 6122 - 6125, View in Reaxys

9

Tacke, Reinhold; Kornek, Thomas; Heinrich, Tilman; Burschka, Christian; Penka, Martin; Puelm, Melanie; Keim, Christine; Mutschler, Ernst; Lambrecht, Guenter; Journal of Organometallic Chemistry; vol. 640; nb. 1-2; (2001); p. 140 - 165, View in Reaxys; Jonczyk; Gadaj; Polish Journal of Chemistry; vol. 81; nb. 9; (2007); p. 1595 - 1610, View in Reaxys; Bobrov, Denis N.; Kim, Keunho; Cha, Jin Kun; Tetrahedron Letters; vol. 49; nb. 26; (2008); p. 4089 - 4091, View in Reaxys; Sanaboina, Chakrapani; Jana, Samaresh; Chidara, Sridhar; Patro, Balaram; Raolji, Gajendrasinh Balvantsinh; Eppakayala, Laxminarayana; Tetrahedron Letters; vol. 53; nb. 37; (2012); p. 5027 - 5029,3, View in Reaxys

Formula-2

Patent; MSN LABORATORIES LIMITED; THIRUMALAI RAJAN, Srinivasan; ESWARAIAH, Sajja; SATYANARAYANA, Revu; WO2012/46247; (2012); (A2) English, View in Reaxys

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G1-f

Yamakoshi, Hiroyuki; Dodo, Kosuke; Palonpon, Almar; Ando, Jun; Fujita, Katsumasa; Kawata, Satoshi; Sodeoka, Mikiko; Journal of the American Chemical Society; vol. 134; nb. 51; (2012); p. 20681 - 20689, View in Reaxys

1f; 4f

Chun, Yu Sung; Kim, Ju Hyun; Choi, Suh Young; Ko, Young Ok; Lee, Sang-Gi; Organic Letters; vol. 14; nb. 24; (2012); p. 6358 - 6361, View in Reaxys

9, Ar1=Ph

Daniels, R. Nathan; Kim, Kwangho; Lebois, Evan P.; Muchalski, Hubert; Hughes, Mary; Lindsley, Craig W.; Tetrahedron Letters; vol. 49; nb. 2; (2008); p. 305 - 310, View in Reaxys

17d

Hastings, Jedidiah M.; Hadden, M. Kyle; Blagg, Brian S. J.; Journal of Organic Chemistry; vol. 73; nb. 2; (2008); p. 369 - 373, View in Reaxys

Table 1. Entry 2.

Telvekar, Vikas N.; Patel, Kavit N.; Kundaikar, Harish S.; Chaudhari, Hemchandra K.; Tetrahedron Letters; vol. 49; nb. 14; (2008); p. 2213 - 2215, View in Reaxys

13b

Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W.; Journal of Organic Chemistry; vol. 73; nb. 7; (2008); p. 2803 - 2810, View in Reaxys

6e

Bencivenni, Giorgio; Lanza, Tommaso; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Zanardi, Giuseppe; Journal of Organic Chemistry; vol. 73; nb. 12; (2008); p. 4721 - 4724, View in Reaxys

PhCH2CN

Suryanarayanan, V.; Noel, M.; Journal of Fluorine Chemistry; vol. 92; nb. 2; (1998); p. 177 - 180, View in Reaxys; Yamamoto, Yoshihiko; Matsumi, Daisuke; Hattori, Reiko; Itoh, Kenji; Journal of Organic Chemistry; vol. 64; nb. 9; (1999); p. 3224 - 3229, View in Reaxys; Suryanarayanan; Noel; Journal of Fluorine Chemistry; vol. 91; nb. 2; (1998); p. 153 - 157, View in Reaxys; Liu, Xianjun; Zou, Jianping; Fan, Yubo; Wang, Quanrui; Synthesis; nb. 8; (1999); p. 1313 - 1318, View in Reaxys; Xu, ChengZhi; Mao, XiangJun; Shen, HongBo; Chen, WenQuiang; Organic Preparations and Procedures International; vol. 23; nb. 2; (1991); p.

153 - 156, View in Reaxys; Liu, Xianjun; Wang, Quanrui; Liu, Yi; Fan, Yubo; Ding, Zongbiao; Synthesis; nb. 3; (2000); p. 435 - 441, View in Reaxys; Salem, Mounir A. I.; Madkour, Hassan M. F.; Soliman, El-Sayed A.; Mahmoud, Naglaa F. H.; Heterocycles; vol. 53; nb. 5; (2000); p. 1129 - 1143, View in Reaxys; Thompson, Andrew M.; Showalter, H.D. Hollis; Denny, William A.; Journal of the Chemical Society, Perkin Transactions 1; nb. 12; (2000); p. 1843 - 1852, View in Reaxys; Bakunov, Stanislav A.; Rukavishnikov, Alexey V.; Tkachev, Alexey V.; Synthesis; nb. 8; (2000); p. 1148 - 1159, View in Reaxys; Lorga, Bogdan; Ricard, Louis; Savignac, Philippe; Journal of the Chemical Society, Perkin Transactions 1; nb. 19; (2000); p. 3311 - 3316, View in Reaxys; Wheeler; West; Liotta; Eckert; Chemical Communications; nb. 10; (2001); p. 887 - 888, View in Reaxys; Klavins, Maris; Dipane, Judite; Babre, Kristine; Chemosphere; vol. 44; nb. 4; (2001); p. 737 - 742, View in Reaxys; Viteva, Lilia; Gospodova, Tzveta; Stefanovski, Yuri; Mazieres, Marie-Rose; Wolf, Jean Gerard; Tetrahedron Letters; vol. 42; nb. 45; (2001); p. 7945 - 7948, View in Reaxys; Bak, Radoslaw R.; Smallridge, Andrew J.; Tetrahedron Letters; vol. 42; nb. 38; (2001); p. 6767 - 6769, View in Reaxys; Gromachevskaya; Krapivin; Kvitkovskii; Shein; Kul'nevich; Chemistry of Heterocyclic Compounds; vol. 37; nb. 5; (2001); p. 588 - 596, View in Reaxys; Xu, Fan; Sun, Jianhua; Shen, Qi; Tetrahedron Letters; vol. 43; nb. 10; (2002); p. 1867 - 1869, View in Reaxys; Kantlehner, Willi; Haug, Erwin; Stieglitz, Ruediger; Frey, Wolfgang; Kress, Ralf; Mezger, Jochen; Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences; vol.

57; nb. 4; (2002); p. 399 - 419, View in Reaxys; Liboska, Radek; Zyka, Daniel; Bobek, Miroslav; Synthesis; nb. 12; (2002); p. 1649 - 1651, View in Reaxys; Wang, Quanrui; Li, Zheng; Yang, Haiyan; Li, Feng; Ding, Zongbiao; Tao, Fenggang; Synthesis; nb. 8; (2003); p. 1231 - 1235, View in Reaxys; Suwinski; Swierczek; Wagner; Kubicki; Borowiak; Slowikowska; Journal of Heterocyclic Chemistry; vol. 40; nb. 3; (2003); p. 523 - 528, View in Reaxys; Huang, Xian; Chen, Wan-Li; Zhou, Hong-Wei; Synlett; nb. 2; (2004); p. 329 - 331, View in Reaxys; Araki, Shuki; Tanaka, Takashi; Toumatsu, Shinya; Hirashita, Tsunehisa; Organic and Biomolecular Chemistry; vol. 1; nb. 22; (2003); p. 4025 - 4029, View in Reaxys; Benfatti, Fides; Cardillo, Giuliana; Fabbroni, Serena; Gentilucci, Luca; Perciaccante, Rossana; Piccinelli, Fabio; Tolomelli, Alessandra; Synthesis; nb. 1; (2005); p. 61 - 70; Art.No: Z15104SS, View in Reaxys; Kozhevnikov, Dmitry N.; Kataeva, Natalia N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Aleksandrov, Grigory G.; Mendeleev Communications; nb. 1; (2005); p. 31 - 33, View in Reaxys; Ghorai, Manas K.; Das, Kalpataru; Kumar, Amit; Das, Animesh; Tetrahedron Letters; vol. 47; nb. 30; (2006); p. 5393 - 5397, View in Reaxys; Hajra, Saumen; Sinha, Debarshi; Bhowmick, Manishabrata; Journal of Organic Chemistry; vol. 72; nb. 5; (2007); p. 1852 1855, View in Reaxys; Yadav; Reddy, B.V. Subba; Kumar, G.G.K.S. Narayana; Reddy, G. Madhusudhan; Tetrahedron Letters; vol. 48; nb. 28; (2007); p. 4903 - 4906, View in Reaxys; Li, Wei; Shi, Min; Journal of Organic Chemistry; vol. 73; nb. 11; (2008); p. 4151 - 4154, View in Reaxys

32a

Patent; F. HOFFMANN-LA ROCHE AG; WO2008/34731; (2008); (A1) English, View in Reaxys

10a

Lauria, Antonino; Abbate, Ilenia; Patella, Chiara; Gambino, Noemi; Silvestri, Arturo; Barone, Giampaolo; Almerico, Anna Maria; Tetrahedron Letters; vol. 49; nb. 35; (2008); p. 5125 - 5128, View in Reaxys

5, R2=H

Ali, Abdelselam; Bliese, Marianne; Rasmussen, Jo-Anne M.; Sargent, Roger M.; Saubern, Simon; Sawutz, David G.; Wilkie, John S.; Winkler, David A.; Winzenberg, Kevin N.; Woodgate, Ruth C.J.; Bioorganic and Medicinal Chemistry Letters; vol. 17; nb. 4; (2007); p. 993 - 997, View in Reaxys

2ii

Jagtap, Sachin R.; Bhanushali, Mayur J.; Nandurkar, Nitin S.; Bhanage, Bhalchandra M.; Synthetic Communications; vol. 37; nb. 13; (2007); p. 2253 - 2258, View in Reaxys

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2016-03-14 01:56:41

Table 3, entry 6

Chidambaram, Mandan; Sonavane, Sachin U.; de la Zerda, Jaima; Sasson, Yoel; Tetrahedron; vol. 63; nb.

32; (2007); p. 7696 - 7701, View in Reaxys

1 (X=H)

Wang, Zhiyuan; Kang, Junhui; Yu, Mingxin; Journal of Chemical Research; nb. 6; (2007); p. 323 - 324, View in Reaxys

Product 2

Telvekar, Vikas N.; Rane, Rajesh A.; Tetrahedron Letters; vol. 48; nb. 34; (2007); p. 6051 - 6053, View in Reaxys

9a

DeGraffenreid, Michael R.; Bennett, Sarah; Caille, Sebastien; De Turiso, Felix Gonzalez-Lopez; Hungate, Randall W.; Julian, Lisa D.; Kaizerman, Jacob A.; McMinn, Dustin L.; Rew, Yosup; Sun, Daqing; Yan, Xuelei; Powers, Jay P.; Journal of Organic Chemistry; vol. 72; nb. 19; (2007); p. 7455 - 7458, View in Reaxys

Table 6, Entry 1

Soltani Rad, Mohammad Navid; Khalafi-Nezhad, Ali; Behrouz, Somayeh; Faghihi, Mohammad Ali; Tetrahedron Letters; vol. 48; nb. 38; (2007); p. 6779 - 6784, View in Reaxys

tab1, 3, entry9

Salama, Tarek A.; Elmorsy, Saad S.; Khalil, Abdel-Galel M.; Ismail, Mohamed A.; Tetrahedron Letters; vol. 48; nb. 35; (2007); p. 6199 - 6203, View in Reaxys

1b

Solhy, Abderrahim; Smahi, Abdellatif; El Badaoui, Hanane; Elaabar, Brahim; Amoukal, Abderrahim; Tikad, Abdellatif; Sebti, Said; Macquarrie; Tetrahedron Letters; vol. 44; nb. 21; (2003); p. 4031 - 4033, View in Reaxys; Caddick, Stephen; Judd, Duncan B.; Lewis, Alexandra K. De K.; Reich, Melanie T.; Williams, Meredith R. V.; Tetrahedron; vol. 59; nb. 29; (2003); p. 5417 - 5423, View in Reaxys; Elinson, Michail N.; Dorofeev, Alexander S.; Feducovich, Sergey K.; Belyakov, Pavel A.; Nikishin, Gennady I.; European Journal of Organic Chemistry; nb. 18; (2007); p. 3023 - 3027, View in Reaxys

4 (X=H)

Garbaccio, Robert M.; Huang, Shaei; Tasber, Edward S.; Fraley, Mark E.; Yan, Youwei; Munshi, Sanjeev; Ikuta, Mari; Kuo, Lawrence; Kreatsoulas, Constanine; Stirdivant, Steve; Drakas, Bob; Rickert, Keith; Walsh, Eileen S.; Hamilton, Kelly A.; Buser, Carolyn A.; Hardwick, James; Mao, Xianzhi; Beck, Stephen C.; Abrams, Marc T.; Tao, Weikang; Lobell, Rob; Sepp-Lorenzino, Laura; Hartman, George D.; Bioorganic and Medicinal Chemistry Letters; vol. 17; nb. 22; (2007); p. 6280 - 6285, View in Reaxys

2; R = Bn

Campbell, Jacqueline A.; McDougald, Graham; McNab, Hamish; Rees, Lovat V. C.; Tyas, Richard G.; Synthesis; nb. 20; (2007); p. 3179 - 3184, View in Reaxys

educt to 5a-b

Jachak, Madhukar N.; Avhale, Appasaheb B.; Toche, Ragunath B.; Sabnis, Ram W.; Journal of Heterocyclic Chemistry; vol. 44; nb. 2; (2007); p. 343 - 347, View in Reaxys

II

Orlov; Kotov; Rusakov; Bystryakova; Kopeikin; Mironov; Russian Journal of Organic Chemistry; vol. 34; nb. 4; (1998); p. 538 - 540, View in Reaxys; Ganzha; Kotov; Sokolov; Orlov; Russian Journal of Organic Chemistry; vol. 42; nb. 8; (2006); p. 1248 - 1249, View in Reaxys

I

Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys; Terpigorev; Shcherbinun; Tselinskii; Russian Journal of Organic Chemistry; vol. 35; nb. 11; (1999); p. 1629 - 1632, View in Reaxys; Martirosyan; Gasparyan; Oganesyan; Arutyunyan; Aleksanyan; Russian Journal of Organic Chemistry; vol. 42; nb. 12; (2006); p. 1786 - 1788, View in Reaxys

starting to 4c

Katritzky, Alan R.; Abdel-Fattah, Ashraf A. A.; Steel, Peter J.; Tetrahedron Letters; vol. 47; nb. 9; (2006); p.

1465 - 1467, View in Reaxys

VI

Shainyan; Danilevich; Russian Journal of Organic Chemistry; vol. 42; nb. 2; (2006); p. 214 - 219, View in Reaxys

14a

Lauria, Antonino; Patella, Chiara; Diana, Patrizia; Barraja, Paola; Montalbano, Alessandra; Cirrincione, Girolamo; Dattolo, Gaetano; Almerico, Anna Maria; Tetrahedron Letters; vol. 47; nb. 13; (2006); p. 2187 2190, View in Reaxys

15

Fan, Qiu-Hua; Ni, Nan-Ting; Li, Qin; Zhang, Li-He; Ye, Xin-Shan; Organic Letters; vol. 8; nb. 5; (2006); p.

1007 - 1009, View in Reaxys

48d

Koch, Uwe; Attenni, Barbara; Malancona, Savina; Colarusso, Stefania; Conte, Immacolata; Di Filippo, Marcello; Harper, Steven; Pacini, Barbara; Giomini, Claudia; Thomas, Steven; Incitti, Ilario; Tomei, Licia; De Francesco, Raffaele; Altamura, Sergio; Matassa, Victor G.; Narjes, Frank; Journal of Medicinal Chemistry; vol. 49; nb. 5; (2006); p. 1693 - 1705, View in Reaxys

R2CN, R2=C6H5CH2

Rao, K. Srinivasa; Reddy, D. Srinivasa; Pal, Manojit; Mukkanti; Iqbal, Javed; Tetrahedron Letters; vol. 47; nb. 26; (2006); p. 4385 - 4388, View in Reaxys

RCH2CN, R = Ph

Bourbeau, Matthew P.; Rider, James T.; Organic Letters; vol. 8; nb. 17; (2006); p. 3679 - 3680, View in Reaxys

4e

Xu, Feng; Murry, Jerry A.; Simmons, Bryon; Corley, Edward; Fitch, Kenneth; Karady, Sandor; Tschaen, David; Organic Letters; vol. 8; nb. 17; (2006); p. 3885 - 3888, View in Reaxys

Tab.3. Ent.13-15, R-CN

Takahashi, Tatsuya; Sugimoto, Osamu; Koshio, Jiro; Tanji, Ken-ichi; Heterocycles; vol. 68; nb. 9; (2006); p. 1973 - 1979, View in Reaxys

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2016-03-14 01:56:41

tab. 1, entry 2

Mukherjee, Chandrani; Zhu, Dunming; Biehl, Edward R.; Hua, Ling; European Journal of Organic Chemistry; nb. 23; (2006); p. 5238 - 5242, View in Reaxys

4b

Lauria; Diana; Barraja; Almerico; Cirrincione; Dattolo; Journal of Heterocyclic Chemistry; vol. 37; nb. 4; (2000); p. 747 - 750, View in Reaxys; Connolly; Guiry; Synlett; nb. 11; (2001); p. 1707 - 1710, View in Reaxys; Mecozzi, Tiziana; Petrini, Marino; Profeta, Roberto; Journal of Organic Chemistry; vol. 66; nb. 24; (2001); p. 8264 - 8267, View in Reaxys; Ji, Yaohui; Trenkle, William C.; Vowles, James V.; Organic Letters; vol. 8; nb. 6; (2006); p. 1161 - 1163, View in Reaxys

10c

Katritzky, Alan R.; Idzik, Krzysztof R.; Abdel-Fattah, Ashraf A. A.; Soloducho, Jadwiga; Steel, Peter J.; Synthesis; nb. 20; (2006); p. 3377 - 3388, View in Reaxys

3d

Park, Yong-Dae; Kim, Jeum-Jong; Cho, Su-Dong; Lee, Sang-Gyeong; Falck, J. Russell; Yoon, YongJin; Synthesis; nb. 7; (2005); p. 1136 - 1140; Art.No: F15604SS, View in Reaxys; Jeganmohan, Masilamani; Cheng, Chien-Hong; Chemical Communications; nb. 23; (2006); p. 2454 - 2456, View in Reaxys

substrate, tab 4/1-3

Yadav, Veejendra K.; Babu, K. Ganesh; European Journal of Organic Chemistry; nb. 2; (2005); p. 452 - 456, View in Reaxys

Tab.3.run7

Biondini, Daniele; Brinchi, Lucia; Germani, Raimondo; Goracci, Laura; Savelli, Gianfranco; European Journal of Organic Chemistry; nb. 14; (2005); p. 3060 - 3063, View in Reaxys

nitrile, entry 6

Motokura, Ken; Fujita, Noriaki; Mori, Kohsuke; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi; Tetrahedron Letters; vol. 46; nb. 33; (2005); p. 5507 - 5510, View in Reaxys

4, R1 = Ph, R2 = H Katritzky, Alan R.; Abdel-Fattah, Ashraf A. A.; Vakulenko, Anatoliy V.; Tao, Hui; Journal of Organic Chemistry; vol. 70; nb. 23; (2005); p. 9191 - 9197, View in Reaxys Table 2, entry 6

Choudary, Boyapati M.; Kantam, Mannepalli L.; Ranganath, Kalluri V. S.; Rao, Kottapalli K.; Angewandte Chemie - International Edition; vol. 44; nb. 2; (2005); p. 322 - 325, View in Reaxys

substrate, suppl.

4/1

Ye, Weiping; Xu, Junye; Tan, Chin-Tong; Tan, Choon-Hong; Tetrahedron Letters; vol. 46; nb. 40; (2005); p. 6875 - 6878, View in Reaxys

C6H5CH2CN

Wang, Anlai; Biehl, Edward R.; Heterocycles; vol. 45; nb. 10; (1997); p. 1929 - 1935, View in Reaxys; Walczynski; Timmerman; Zuiderveld; Zhang; Glinka; Farmaco; vol. 54; nb. 8; (1999); p. 533 - 541, View in Reaxys; Bose, D. Subhas; Kumar, K. Kiran; Synthetic Communications; vol. 30; nb. 16; (2000); p.

3047 - 3052, View in Reaxys; Shimizu; Suzuki; Sasaki; Hirai; Synlett; nb. 11; (2000); p. 1664 - 1666, View in Reaxys; Cregge, Robert J.; Farr, Robert A.; Friedrich, Dirk; Hulshof, Jos; Janowick, David A.; Meikrantz, Scott; Metz, William A.; Tetrahedron Letters; vol. 42; nb. 8; (2001); p. 1407 - 1409, View in Reaxys; Schweizer; Lohse; Otter; Hindsgaul; Synlett; nb. 9; (2001); p. 1434 - 1436, View in Reaxys; Prasad, Mailavaram Raghu; Rao, Akkinepalli Raghu Ram; Rao, Pamulaparthi Shanthan; Rajan, Kombu Subramanian; Synthesis; nb. 14; (2001); p. 2119 - 2123, View in Reaxys; Golovlyova; Moskvichev; Alov; Kobylinsky; Ermolaeva; Chemistry of Heterocyclic Compounds; vol. 37; nb. 9; (2001); p. 1102 - 1106, View in Reaxys; Chen, Wanli; Huang, Xian; Zhou, Hongwei; Synthesis; nb. 10; (2004); p. 1573 - 1576, View in Reaxys

9, X=H

Chen, Chen; Wilcoxen, Keith M.; Huang, Charles Q.; McCarthy, James R.; Chen, Takung; Grigoriadis, Dimitri E.; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 14; (2004); p. 3669 - 3673, View in Reaxys

Table I, entry 7

Akhlaghinia, Batool; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 179; nb. 9; (2004); p. 1783 - 1786, View in Reaxys

Ar'CH2Y, Tab.1, entry 1

Wrobel, Zbigniew; Synlett; nb. 11; (2004); p. 1929 - 1932, View in Reaxys

tab1, product

Mukaiyama, Teruaki; Masutani, Kouta; Hagiwara, Yoshiaki; Chemistry Letters; vol. 33; nb. 9; (2004); p.

1192 - 1193, View in Reaxys

T. 3-6, nucleophile Leitner, Andreas; Larsen, Jens; Steffens, Christian; Hartwig, John F.; Journal of Organic Chemistry; vol.

69; nb. 22; (2004); p. 7552 - 7557, View in Reaxys 7c

Compton, Dennis R.; Sheng, Shubin; Carlson, Kathryn E.; Rebacz, Natalie A.; Lee, In Young; Katzenellenbogen, Benita S.; Katzenellenbogen, John A.; Journal of Medicinal Chemistry; vol. 47; nb. 24; (2004); p.

5872 - 5893, View in Reaxys

R-CN, R=Bn

Prasad, B. A. Bhanu; Bisai, Alakesh; Singh, Vinod K.; Organic Letters; vol. 6; nb. 26; (2004); p. 4829 - 4831, View in Reaxys

Nit

Freuze, Ingrid; Brosillon, Stephan; Herman, Dorine; Laplanche, Alain; Democrate, Christian; Cavard, Jacques; Environmental Science and Technology; vol. 38; nb. 15; (2004); p. 4134 - 4139, View in Reaxys

PhACN

Cheng; Hashimoto; Uda; Food and Chemical Toxicology; vol. 42; nb. 3; (2004); p. 351 - 357, View in Reaxys

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phenylacetonitrile

Motokura, Ken; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi; Tetrahedron Letters; vol. 45; nb. 31; (2004); p. 6029 - 6032, View in Reaxys

as 9 for 15b

Yamashita, Makoto; Ono, Yujirou; Tawada, Hiroyuki; Tetrahedron; vol. 60; nb. 12; (2004); p. 2843 - 2849, View in Reaxys

educt to 6b

Viteva, Lilia; Gospodova, Tzveta; Stefanovsky, Yuri; Petrova, Krasimira; Timtcheva, Iliana; Mazieres, Marie-Rose; Wolf, Jean-Gerard; European Journal of Organic Chemistry; nb. 2; (2004); p. 385 - 394, View in Reaxys

Tab. 2, entry 15

Venkat Narsaiah; Nagaiah; Advanced Synthesis and Catalysis; vol. 346; nb. 11; (2004); p. 1271 - 1274, View in Reaxys

nitrile, tab. 1/5

Prasad, B.A. Bhanu; Pandey, Ghanshyam; Singh, Vinod K.; Tetrahedron Letters; vol. 45; nb. 6; (2004); p.

1137 - 1141, View in Reaxys

phenyl-CH2CN

Yeh, Hsiu-Chih; Wu, Wei-Ching; Chen, Chin-Ti; Chemical Communications; nb. 3; (2003); p. 404 - 405, View in Reaxys

2, Ar=Ph

Villemin, Didier; Liao, Liang; Synthetic Communications; vol. 33; nb. 9; (2003); p. 1575 - 1585, View in Reaxys

65

Liu, Xiangli; Bouchard, Geraldine; Mueller, Nathalie; Galland, Alexandra; Girault, Hubert; Testa, Bernard; Carrupt, Pierre-Alain; Helvetica Chimica Acta; vol. 86; nb. 11; (2003); p. 3533 - 3547, View in Reaxys

8e

Lauria, Antonino; Patella, Chiara; Diana, Patrizia; Barraja, Paola; Montalbano, Alessandra; Cirrincione, Girolamo; Dattolo, Gaetano; Almerico, Anna Maria; Heterocycles; vol. 60; nb. 12; (2003); p. 2669 - 2675, View in Reaxys

tab. 1, entry 14

Mashraqui, Sabir H.; Karnik, Madhavi A.; Chemistry Letters; vol. 32; nb. 11; (2003); p. 1064 - 1065, View in Reaxys

3c

Curran, Dennis P.; Hadida, Sabine; Kim, Sun-Young; Tetrahedron; vol. 55; nb. 29; (1999); p. 8997 - 9006, View in Reaxys; Font-Sanchis, Enrique; Aliaga, Carolina; Focsaneanu; Scaiano; Chemical Communications; nb. 15; (2002); p. 1576 - 1577, View in Reaxys

22c

Rose, Jerry D.; Maddry, Joseph A.; Comber, Robert N.; Suling, William J.; Wilson, Larry N.; Reynolds, Robert C.; Carbohydrate Research; vol. 337; nb. 2; (2002); p. 105 - 120, View in Reaxys

t.2, pr., entry 2

Iranpoor; Firouzabadi; Aghapour; Synthetic Communications; vol. 32; nb. 16; (2002); p. 2535 - 2541, View in Reaxys

18c

Batsila, Christina; Kostakis, George; Hadjiarapoglou, Lazaros P; Tetrahedron Letters; vol. 43; nb. 34; (2002); p. 5997 - 6000, View in Reaxys

49

Van Stee; Leonards; Van Loon; Jan Hendriks; Struijs; Brinkman; Maas; Water Research; vol. 36; nb. 18; (2002); p. 4455 - 4470, View in Reaxys

Tab.2, entry 6

Shoichi, Shimizu; Suzuki, Takashi; Shirakawa, Seiji; Sasaki, Yasuyuki; Hirai, Choichiro; Advanced Synthesis and Catalysis; vol. 344; nb. 3-4; (2002); p. 370 - 378, View in Reaxys

1, R1=R2=R4=R3= H

Tarnchompoo, Bongkoch; Sirichaiwat, Chawanee; Phupong, Worrapong; Intaraudom, Chakapong; Sirawaraporn, Worachart; Kamchonwongpaisan, Sumalee; Vanichtanankul, Jarunee; Thebtaranonth, Yodhathai; Yuthavong, Yongyuth; Journal of Medicinal Chemistry; vol. 45; nb. 6; (2002); p. 1244 - 1252, View in Reaxys

24

Detert, Heiner; Schollmeyer, Dieter; Sugiono, Erli; European Journal of Organic Chemistry; nb. 15; (2001); p. 2927 - 2938, View in Reaxys; Greshock, Thomas J.; Funk, Raymond L.; Journal of the American Chemical Society; vol. 124; nb. 5; (2002); p. 754 - 755, View in Reaxys

5c

Wang, Yanli; Zhu, Shizheng; Journal of Fluorine Chemistry; vol. 103; nb. 2; (2000); p. 139 - 144, View in Reaxys; Itoh; Tanaka; Ohta; Takeshiba; Chemical and Pharmaceutical Bulletin; vol. 49; nb. 7; (2001); p. 909 - 911, View in Reaxys

6b

Oecal, Nueket; Erden, Ihsan; Tetrahedron Letters; vol. 42; nb. 29; (2001); p. 4765 - 4767, View in Reaxys

g

Cao; Chen; Pei; Synthetic Communications; vol. 31; nb. 14; (2001); p. 2203 - 2207, View in Reaxys

2, R2: PhCH2

Su; Li; Zhang; Journal of Chemical Research - Part S; nb. 1; (2001); p. 32 - 33, View in Reaxys

PhCH2-CN

Stavber; Kralj; Zupan; Synlett; nb. 7; (2001); p. 1152 - 1154, View in Reaxys

1, R=PhCH2

Kaminski; Glass; Skowronska; Synthesis; nb. 9; (2001); p. 1308 - 1310, View in Reaxys

RCH2CN, R=Ph

Gao, Yang; Wang, Hui; Xu, Minghua; Lian, Hongzhen; Pan, Yi; Shi, Yaozeng; Organic Preparations and Procedures International; vol. 33; nb. 4; (2001); p. 351 - 356, View in Reaxys

7, R4=Ph

Pyun; Jeong; Jung; Kim; Lee; Synlett; nb. 12; (2001); p. 1950 - 1952, View in Reaxys

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Sub., Table, run 24

Takamizawa; Wakasa; Fuchikami; Synlett; nb. 10; (2001); p. 1623 - 1625, View in Reaxys

t.1, product 4

Bose; Varadarajan; Vanajatha; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 40; nb. 8; (2001); p. 722 - 723, View in Reaxys

8, X=H

Ludovici, Donald W.; Kukla, Michael J.; Grous, Philip G.; Krishnan, Suma; Andries, Koen; De Bethune, Marie-Pierre; Azijn, Hilde; Pauwels, Rudi; De Clercq, Erik; Arnold, Edward; Janssen, Paul A.J.; Bioorganic and Medicinal Chemistry Letters; vol. 11; nb. 17; (2001); p. 2225 - 2228, View in Reaxys

Table II, entry 23

Chakraborti; Kaur; Roy; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 40; nb. 10; (2001); p. 1000 - 1006, View in Reaxys

IId

Glushkov; Ausheva; Anikina; Vikharev; Safin; Shklyaev; Pharmaceutical Chemistry Journal; vol. 35; nb. 7; (2001); p. 358 - 363, View in Reaxys

PAN

Xie; Kato; Asano; Bioscience, biotechnology, and biochemistry; vol. 65; nb. 12; (2001); p. 2666 - 2672, View in Reaxys

2 R=C6H5CH2

Zhong; Zhang; Chen; Journal of the Indian Chemical Society; vol. 78; nb. 6; (2001); p. 316 - 318, View in Reaxys

C6H5CH2CN (Scheme 3b)

Nabil Aboul-Enein; El-Azzounya; Maklad; Attia; Wiese; Scientia Pharmaceutica; vol. 69; nb. 4; (2001); p.

329 - 350, View in Reaxys

37

Jarikov; Neckers; Journal of Organic Chemistry; vol. 66; nb. 3; (2001); p. 659 - 671, View in Reaxys

11

Clark, Adrian D.; Ha, Uyen T.; Prager, Rolf H.; Smith, Jason A.; Australian Journal of Chemistry; vol. 52; nb.

11; (1999); p. 1029 - 1033, View in Reaxys; Moyano; Yranzo; Journal of Organic Chemistry; vol. 66; nb. 9; (2001); p. 2943 - 2947, View in Reaxys

BzCN

Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Moloney, Gerard P.; Martin, Graeme R.; Mathews, Neil; MacLennan, Steve; Dodsworth, Susan; Sang, Pang Yih; Knight, Cameron; Maxwell, Miles; Glen, Robert C.; Journal of the Chemical Society - Perkin Transactions 1; nb. 19; (1999); p. 2725 - 2733, View in Reaxys; Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 7152, View in Reaxys

Table 1, RCN, rows 9-10

Merchant, Kevin J.; Tetrahedron Letters; vol. 41; nb. 19; (2000); p. 3747 - 3749, View in Reaxys

Ph-CN

Lee, Yong Rok; Suk, Jung Yup; Tetrahedron Letters; vol. 41; nb. 24; (2000); p. 4795 - 4799, View in Reaxys

2, R = CH2C6H5

Zhou, Longhu; Zhang, Yongmin; Tetrahedron; vol. 56; nb. 19; (2000); p. 2953 - 2960, View in Reaxys

Tab., nitrile, entry 3

Murahashi, Shun-Ichi; Take, Kazuhiko; Naota, Takeshi; Takaya, Hikaru; Synlett; nb. 7; (2000); p. 1016 1018, View in Reaxys

18

Koradin; Rodriguez; Knochel; Synlett; nb. 10; (2000); p. 1452 - 1454, View in Reaxys

1n

Anastassiadou; Baziard-Mouysset; Payard; Synthesis; nb. 13; (2000); p. 1814 - 1816, View in Reaxys

Subst.,Tab.1/2, run 8/6

Lee; Lin; Tetrahedron Letters; vol. 41; nb. 45; (2000); p. 8803 - 8806, View in Reaxys

6c

Gogonas; Hadjiarapoglou; Tetrahedron Letters; vol. 41; nb. 48; (2000); p. 9299 - 9303, View in Reaxys

educt to interm of 9

Sbardella, Gianluca; Mai, Antonello; Artico, Marino; Massa, Silvio; Marceddu, Tiziana; Vargiu, Laura; Marongiu, Maria Elena; La Colla, Paolo; Medicinal Chemistry Research; vol. 10; nb. 1; (2000); p. 30 - 39, View in Reaxys

C6H5-CH2CN

Larsen, Janus S.; Christensen, Lene; Ludvig, Gitte; Jorgensen, Per T.; Pedersen, Erik B.; Nielsen, Claus; Journal of the Chemical Society, Perkin Transactions 1; nb. 18; (2000); p. 3035 - 3038, View in Reaxys

1J

Boyd, Derek R.; Sharma, Narain D.; Bowers, Nigel I.; Duffy, John; Harrison, John S.; Dalton, Howard; Journal of the Chemical Society, Perkin Transactions 1; nb. 9; (2000); p. 1345 - 1350, View in Reaxys

2, R2=H

Kayaleh, Nadim E.; Gupta, Ramesh C.; Johnson, Francis; Journal of Organic Chemistry; vol. 65; nb. 15; (2000); p. 4515 - 4522, View in Reaxys

2m/2n

Park, Leeyoung; Keum, Gyochang; Kang, Soon Bang; Kim, Kwan Soo; Kim, Youseung; Journal of the Chemical Society, Perkin Transactions 1; nb. 24; (2000); p. 4462 - 4463, View in Reaxys

tab. 1,entry 4, product

Subhas Bose; Ravinder Goud; Tetrahedron Letters; vol. 40; nb. 4; (1999); p. 747 - 748, View in Reaxys

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3a,b

Soli, Eric D.; Manoso, Amy S.; Patterson, Michael C.; DeShong, Philip; Favor, David A.; Hirschmann, Ralph; Smith III, Amos B.; Journal of Organic Chemistry; vol. 64; nb. 9; (1999); p. 3171 - 3177, View in Reaxys

2, R4'=H

Mhiri; Ladhar; El Gharbi; Le Bigot; Synthetic Communications; vol. 29; nb. 9; (1999); p. 1451 - 1461, View in Reaxys

2, A = Ph

Mhiri; El Gharbi; Le Bigot; Synthetic Communications; vol. 29; nb. 19; (1999); p. 3385 - 3399, View in Reaxys

14

Basaveswara Rao; Syam Kumar; Ila; Junjappa; Tetrahedron; vol. 55; nb. 38; (1999); p. 11563 - 11578, View in Reaxys

product 5

Bose, D. Subhas; Sunder, K. Sugnana; Synthetic Communications; vol. 29; nb. 23; (1999); p. 4235 - 4239, View in Reaxys

22

Chakraborti, Asit K.; Kaur, Gurmeet; Tetrahedron; vol. 55; nb. 46; (1999); p. 13265 - 13268, View in Reaxys

substrate (entry 8) Mansour Lakouraj; Bahrami; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol.

38; nb. 8; (1999); p. 974 - 975, View in Reaxys product,table 3,entry21

Daasbjerg, Kim; Knudsen, Stig R.; Sonnichsen, Katrine N.; Andrade, Adalgisa R.; Pedersen, Steen U.; Acta Chemica Scandinavica; vol. 53; nb. 10; (1999); p. 938 - 948, View in Reaxys

V

El'tsov; Sokolova; Dmitrieva; Grigor'ev; Ivanov; Russian Journal of General Chemistry; vol. 69; nb. 8; (1999); p. 1317 - 1320, View in Reaxys

subs., Tab. 1, entry 10

Varma, Rajender S.; Naicker, Kannan P.; Organic Letters; vol. 1; nb. 2; (1999); p. 189 - 191, View in Reaxys

21

Satoh, Tetsuya; Inoh, Jun-Ichi; Kawamura, Yoshiki; Kawamura, Yuichiro; Miura, Masahiro; Nomura, Masakatsu; Bulletin of the Chemical Society of Japan; vol. 71; nb. 9; (1998); p. 2239 - 2246, View in Reaxys

RCN (run 6,8,14)

Luo, Fen-Tair; Jeevanandam, Arumugasamy; Tetrahedron Letters; vol. 39; nb. 51; (1998); p. 9455 - 9456, View in Reaxys

RCN R=C6H5CH2

Ishihara, Hideharu; Yosimura, Katsuhiro; Kouketsu, Mamoru; Chemistry Letters; nb. 12; (1998); p. 1287 1288, View in Reaxys

5, PA

Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys

Patent-Specific Data (7) Prophetic ComLocation in Patent References pound Page/Page column

prophetic product

Patent; SANOFI; FETT, Eykmar; MOUGENOT, Patrick; NAMANE, Claudie; NICOLAI, Eric; PHILIPPO, Christophe; US2013/137691; (2013); (A1) English, View in Reaxys; Patent; University of Pittsburgh -- Of the Commonwealth System of Higher Education; XIE, Xiang-qun; Feng, Rentian; Yang, Peng; US2013/172388; (2013); (A1) English, View in Reaxys; Patent; Nissan Chemical Industries, Ltd.; Nishino, Taito; Miyaji, Katsuaki; Iwamoto, Shunsuke; Mikashima, Takumi; Saruhashi, Koichiro; Kishikawa, Yo; US2013/253204; (2013); (A1) English, View in Reaxys; Patent; Centre National de la Recherche Scientifique (C.N.R.S.); Routier, Sylvain; Suzenet, Franck; Pin, Frederic; Chalon, Sylvie; Vercouillie, Johnny; Guilloteau, Denis; US2014/30191; (2014); (A1) English, View in Reaxys; Patent; SAVIRA PHARMACEUTICALS GMBH; EUROPEAN MOLECULAR BIOLOGY LABORATORY; F. HOFFMANN-LA ROCHE AG; BUSCHMANN, Helmut; WOLKERSTORFER, Andrea; SZOLAR, Oliver; HANDLER, Norbert; CUSACK, Stephen; SMITH, Mark; SO, Sung-Sau; US2014/38990; (2014); (A1) English, View in Reaxys; Patent; Wolkerstorfer, Andrea; Szolar, Oliver; Handler, Norbert; Buschmann, Helmut; Cusack, Stephen; Smith, Mark; So, Sung-Sau; Hawley, Ronald Charles; Sidduri, Achyutharao; Zhang, Zhuming; US2014/194431; (2014); (A1) English, View in Reaxys; Patent; KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY; CHOO, Hyunah; Min, Sun Joon; Seo, Seon Hee; Kim, Jee Yeon; Ki, Yoo Ran; Kim, Min Joo; Kim, Sora; Kim, Youngjae; US2014/228565; (2014); (A1) English, View in Reaxys; Patent; COSMA S.P.A.; CELESTINI, Paolo; BARETTI, Sergio; PIZZATTI, Enrica; US2014/343322; (2014); (A1) English, View in Reaxys; Patent; Huxley, Philip; Heal, Jonathan R.; Todd, Richard S.; US2015/57443; (2015); (A1) English, View in Reaxys; Patent; Acetylon Pharmaceuticals, Inc.; Jones, Simon Stewart; Yang, Min; Tamang, David Lee; US2015/105384; (2015); (A1) English, View in Reaxys Patent; Tokyo Ohka Kogyo Co., Ltd.; US7820360; (2010); (B2) English, View in Reaxys

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Patent; SMITHKLINE BEECHAM CORPORATION; WO2008/70707; (2008); (A1) English, View in Reaxys Patent; Meudt, Andreas; Nerdinger, Sven; Lehnemann, Bernd Wilhelm; Vogel, Till; Snieckus, Victor; US2008/221350; (2008); (A1) English, View in Reaxys Patent; Pfizer Inc.; US6407120; (2002); (B1) English, View in Reaxys Patent; WARNER-LAMBERT COMPANY; EP1203767; (2002); (A1) English, View in Reaxys prophetic product

Claim

Patent; Emery Industries, Inc.; US4328168; (1982); (A1) English, View in Reaxys; Patent; Emery Industries, Inc.; US4328169; (1982); (A1) English, View in Reaxys

Related Structure (1) Related Structure References The author inves- Binev, I. G.; Tsenov, J. A.; Velcheva, E. A.; Juchnovski, I. N.; Journal of Molecular Structure; vol. 344; (1995); tigated the config- p. 205 - 216, View in Reaxys uration Derivative (20) Comment (Deriva- Derivative tive) Li-Salz (2a): Rk. mit /BRN= 280477/, /BRN= 560601/, u. /BRN= 280721/ in THF / HMPT (jeweils t(1/2)

References

2-oxo-3-pheDeschamps et al.; Tetrahedron Letters; (1979); p. 1377,1379, View in Reaxys nyl-2,3-dihydrobenzofuran-4-carboxylic acid ethyl ester; hydroxy-[1(4-methoxy-phenyl)-1,4,5,6-tetrahydro-cyclopentapyrazol-3-yl]-acetic acid; 3-[2]furyl-5-methyl-2phenyl-hexanoic acid ethyl ester

Cs-Salz: k, Η(Diss), ΔS(Diss)

Petrov,E.S. et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 48; nb. 3; (1978); p. 616 623,561 - 568, View in Reaxys

Li-Salz: k, Η(Diss), ΔS(Diss)

Petrov,E.S. et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 48; nb. 3; (1978); p. 616 623,561 - 568, View in Reaxys

Komplex mit Phenol: Dipolmoment

Gramstad; Tjessem; Journal of Molecular Structure; vol. 41; (1977); p. 231,233, 235, 236, View in Reaxys

Na-Salz; aus Phenylacetonitril, Dimsyl-Na; und weitere o-, p-, mPhenylacetonitrile; IR

Juchnovski et al.; Tetrahedron Letters; (1976); p. 1519,1520, View in Reaxys

Komplex mit (NC)2C=C(CN)2: UV (Tab. 2)

Cornish; Eaborn; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1975); p. 874, View in Reaxys

Anion(2A): Nitril(1A) mit NaNH2, 1H-NMR, Ladungsdichte

Albagnac et al.; Bulletin de la Societe Chimique de France; (1974); p. 1469,1470, View in Reaxys

BF3-Addukt: 11B-, 19F-NMR

Fluck; Steck; Phosphorus and Sulfur and the Related Elements; vol. 1; (1972); p. 283, View in Reaxys

Li-Salz: aus Phenylacetonitril, nBuLi; IR; UV; 1HNMR; Leitfaehigkeit

Das; Wilkie.; Journal of the American Chemical Society; vol. 94; (1972); p. 4555, View in Reaxys

Komplex mit TCNE: λ(max) (CT), E(CT)

Sakurai; Journal of Organic Chemistry; vol. 35; (1970); p. 2808, View in Reaxys

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2016-03-14 01:56:41

Einschlussverb. m. Desoxycholsaeure: P

Csueroes et al.; Acta Chimica Academiae Scientiarum Hungaricae; vol. 63; (1970); p. 425, View in Reaxys

Charge-TransferKomplex m. Tetracyanoethylen: λ(max): 360 nm; ν: 27800 cm-1

Hanstein et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 829,831, View in Reaxys

Clathrat: C8H7N*Dianin (C18H20O2): Dielektrizitaetskonstante bei -185grad/8.5GHz, +20grad/160KHz u. 8.5GHz; dielektrischer Verlust bei -185grad/ 8.5GHz u. 20grad/ 8.5GHz

Davies; Williams; Transactions of the Faraday Society; vol. 64; (1968); p. 529,543, View in Reaxys

Anion: IR

Yukhnovskii; Theoretical and Experimental Chemistry; vol. 3; (1967); p. 232; ; p. 410, View in Reaxys

Magnesiumsalz C6H5C(Mg)CN: aus dem Nitril, Mg-Pulver, fl.

NH3; zersetzl.; Analyse; Rk. mit C2H5I in sd. Diethylether-> αPhenyl-butyronitril

Markov et al.; Chemische Berichte; vol. 97; (1964); p. 2987,2995, View in Reaxys

Na-Verb. u. p-Toluolsulfochlorid <Tetrahydrofuran, -40 grad> -> α,αDicyan- stilben u.

Bis-p-tolyl-disulfon in geringen Ausbeuten

Horner; Guesten; Justus Liebigs Annalen der Chemie; vol. 652; (1962); p. 99,107, View in Reaxys

Als Phenylmalonsaeure-mononitril

Normant; Angelo; Bulletin de la Societe Chimique de France; (1960); p. 357, View in Reaxys

compound with silver-tetrafluoroborate (mp: -8--9 degree ); Further Data see Handbook

Meerwein et al.; Archiv der Pharmazie (Weinheim, Germany); vol. 291; (1958); p. 541,553, View in Reaxys

compound with copper (I)-tetrafluoroborate (mp: 121 degree ); Further Data see Handbook

Meerwein et al.; Archiv der Pharmazie (Weinheim, Germany); vol. 291; (1958); p. 541,553, View in Reaxys

monosodiumcompound; Further Data see Handbook (Chemical Behaviour)

Bodroux; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 153; (1911); p. 351; Bulletin de la Societe Chimique de France; vol. <4> 11; (1912); p.

338, View in Reaxys; Bodroux; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 152; (1911); p. 1594; Bulletin de la Societe Chimique de France; vol. <4> 9; (1911); p. 726, View in Reaxys; Paterno; Gazzetta Chimica Italiana; vol. 44 I; (1914); p. 255, View in Reaxys; Bodroux; Taboury; Bulletin de la Societe Chimique de France; vol. <4> 7; (1910); p. 735, View in Reaxys

Melting Point (5) 1 of 5

Melting Point [°C]

-22

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Witschonke; Analytical Chemistry; vol. 26; (1954); p. 562, View in Reaxys 2 of 5

Melting Point [°C]

-26

Fricke; Roebke; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 33, View in Reaxys 3 of 5

Melting Point [°C]

-23.8

Timmermans; Bulletin des Societes Chimiques Belges; vol. 31; (1922); p. 390; Bulletin des Societes Chimiques Belges; vol. 36; (1927); p. 505; Chem. Zentralbl.; vol. 94; nb. III; (1923); p. 1137, View in Reaxys 4 of 5

Melting Point [°C]

-26.5

Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 73; (1910); p. 261, View in Reaxys 5 of 5

Melting Point [°C]

-24.6

Schneider; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 22; (1897); p. 233, View in Reaxys Boiling Point (78) Boiling Point [°C] Pressure (Boiling Point) [Torr] 233 - 234

Location

Comment (Boiling References Point)

supporting information

Patil, Umakant B.; Shendage, Suresh S.; Nagarkar, Jayashree M.; Synthesis (Germany); vol. 45; nb. 23; (2013); p. 3295 - 3299, View in Reaxys

92

6

Zhu, Jintao; Song, Guangwei; Yao, Guoxin; Chen, Gang; Synthetic Communications; vol. 42; nb. 13; (2012); p. 1934 - 1940, View in Reaxys

205 - 209

60

Malki, Fatiha; Touati, Abdelkader; Rahal, Said; Moulay, Saad; Asian Journal of Chemistry; vol.

23; nb. 3; (2011); p. 961 - 967, View in Reaxys

231 - 232

Shahsavari-Fard; Sardarian; Journal of the Iranian Chemical Society; vol. 8; nb. 1; (2011); p. 204 - 208, View in Reaxys

232 - 234

Cao, Yu-Qing; Qu, An-Li; Liu, Rui-Yan; Duan, Chun-Ming; Journal of Chemical Research; nb. 7; (2010); p. 414 - 415, View in Reaxys

80

0.6

Campbell, Jacqueline A.; McDougald, Graham; McNab, Hamish; Rees, Lovat V. C.; Tyas, Richard G.; Synthesis; nb. 20; (2007); p. 3179 3184, View in Reaxys

109 - 111

13

Takeda, Takeshi; Yamauchi, Satoshi; Fujiwara, Tooru; Synthesis; nb. 5; (1996); p. 600 - 602, View in Reaxys

72 - 75

7

Juncai, Feng; Bin, Liu; Yang, Lhi; Changchuan, Li; Synthetic Communications; vol. 26; nb. 24; (1996); p. 4545 - 4548, View in Reaxys

109

13

Butzenlechner, Maria; Thimet, Susanne; Kempe, Klaus; Kexel, Hugo; Schmidt, HannsLudwig; Phytochemistry; vol. 43; nb. 3; (1996); p.

585 - 592, View in Reaxys

230 - 235

Gaber, A. M.; El-Dean, A. M. Kamal; Atalla, A. A.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 80; nb. 1-4; (1993); p. 101 - 108, View in Reaxys

102 - 104

10

Sahu, Devi Prasad; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 32; nb. 3; (1993); p. 385 - 386, View in Reaxys

46

0.08

Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic

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2016-03-14 01:56:41

and Bio-Organic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys 106 - 107

12

Polivin, Yu. N.; Vinokurov, V. A.; Makarshin, S. V.; Karakhanov, R. A.; Silin, M. A.; Ageev, E. A.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 39; nb. 7.2; (1990); p. 1528 1530; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 7; (1990); p. 1682 - 1684, View in Reaxys

105

9

Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p.

3 - 12, View in Reaxys

120 - 122

28

Sera, Akira; Tani, Hiroyuki; Nishiguchi, Ikuzo; Hirashima, Tsuneaki; Synthesis; nb. 7; (1987); p.

631 - 633, View in Reaxys

98 - 100

9

Frejd, Torbjoern; Klingstedt, Tomas; Synthesis; nb. 1; (1987); p. 40 - 42, View in Reaxys

80

0.5

Mai, Khuong; Path, Ghanshyam; Synthesis; nb.

12; (1986); p. 1037 - 1038, View in Reaxys

65 - 66

3

Saednya, Akbar; Synthesis; nb. 2; (1985); p. 184 - 185, View in Reaxys

76 - 78

2

Abramovitch, Rudolph A.; Kress, Albert O.; Pillay, Kutten S.; Thompson, W. Marshall; Journal of Organic Chemistry; vol. 50; nb. 12; (1985); p.

2066 - 2073, View in Reaxys

105 - 106

Schroth, W.; Kluge, H.; Frach, R.; Hodek, W.; Schaedler, H. D.; Journal fuer Praktische Chemie (Leipzig); vol. 325; nb. 5; (1983); p. 787 - 802, View in Reaxys

105

10

Molina, P.; Alajarin, M.; Vilaplana, M. J.; Synthesis; nb. 12; (1982); p. 1016 - 1017, View in Reaxys

110

15 - 16

Yokoyama, Masataka; Yoshida, Sayaka; Imamoto, Tsuneo; Synthesis; nb. 7; (1982); p. 591 592, View in Reaxys

230 - 232

760

Fresneda, P. M.; Lidon, M. J.; Molina, P.; Vilaplana, M. J.; Synthesis; nb. 9; (1981); p. 711 - 714, View in Reaxys

116

10

Olah, George A.; Narang, Subhash C.; Fung, Alexander P.; Gupta, B.G.Balaram; Synthesis; nb. 8; (1980); p. 657 - 658, View in Reaxys

130 - 131

38

Mizuno, Akira; Hamada, Yasumasa; Shioiri, Takayuki; Synthesis; nb. 12; (1980); p. 1007 - 1009, View in Reaxys

98 - 100

10

Leusen, Albert M. van; Oomkes, Piet G.; Synthetic Communications; vol. 10; nb. 5; (1980); p.

399 - 404, View in Reaxys

105

12

Avril et al.; Journal of Chemical Research, Miniprint; (1979); p. 2921,2924,2932, View in Reaxys

80 - 85

6

Olah et al.; Synthesis; (1979); p. 227, View in Reaxys

75

1

Kobler,H. et al.; Justus Liebigs Annalen der Chemie; (1978); p. 1946 - 1962, View in Reaxys

117 - 120

10

Fukunaga et al.; Nippon Kagaku Kaishi; (1977); p. 1379,1381; Chem.Abstr.; nb. 5818; (1978), View in Reaxys; Fukunaga; Yuki Gosei Kagaku

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2016-03-14 01:56:41

Kyokaishi; vol. 33; (1975); p. 774, View in Reaxys 234

760

Mauret et al.; Bulletin de la Societe Chimique de France; (1976); p. 429, View in Reaxys

75

2

Shvartsberg et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 25; (1976); p.

2138; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 25; (1976); p. 2292, View in Reaxys

234

Kindler,K.; Luehrs,K.; Chemische Berichte; vol.

99; (1966); p. 227 - 232, View in Reaxys; Ahmad; Synthesis; (1976); p. 418, View in Reaxys

56 - 57

0.1

Patent; Rhone-Poulenc S/A; DE2205360; (1972); Chem.Abstr.; vol. 77; nb. 151710, View in Reaxys; Patent; Rhone-Poulenc; US3884957; (1975); Chem.Abstr.; vol. 83; nb.

58487, View in Reaxys

107 - 109

13

Binet du Jassoneix,C.; Bulletin de la Societe Chimique de France; (1975); p. 758 - 769, View in Reaxys

115

16

Schmitz; Janisch; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol.

10; (1974); p. 1432,1436; Khimiya Geterotsiklicheskikh Soedinenii; vol. 10; (1974); p. 1629, View in Reaxys

107

12

Shahak,I.; Peretz,J.; Israel Journal of Chemistry; vol. 9; (1971); p. 35 - 44, View in Reaxys; Biniecki; Zlakowska; Acta poloniae pharmaceutica; vol. 23; nb. 2; (1966); p. 89 - 92, View in Reaxys; Schoellkopf; Schroeder; Angewandte Chemie; vol. 85; (1973); p. 402, View in Reaxys; Delaby et al.; Bulletin de la Societe Chimique de France; (1960); p. 864,867, View in Reaxys

92 - 93

6

Kaiser,E.M. et al.; Journal of the American Chemical Society; vol. 93; nb. 17; (1971); p. 4237 - 4242, View in Reaxys

105 - 107

12

Castro; Selve; Bulletin de la Societe Chimique de France; (1971); p. 2296, View in Reaxys

105 - 107

10 - 15

Kanaoka et al.; Chemical and Pharmaceutical Bulletin; vol. 18; (1970); p. 397,398, View in Reaxys

103 - 105

11

Patent; Dt. Akad. Wiss.; DE1443704; (1969); Chem.Abstr.; vol. 72; nb. 54358; (1970), View in Reaxys; Patent; Deutsche Akademie d.

Wissenschaften zu Berlin; GB1005647; (1963); Chem.Abstr.; vol. 64; nb. 1954h; (1966), View in Reaxys

90.5 - 91.5

6.5

Tanaka; Sato; Kogyo Kagaku Zasshi; vol. 72; (1969); p. 2023,2024, 2025; Chem.Abstr.; vol. 72; nb. 78976; (1970), View in Reaxys

145 - 146

65

Sakota; Koine; Okita; Nippon Kagaku Zasshi; vol. 90; (1969); p. 77,78; Chem.Abstr.; vol. 70; (1969); p. 115517, View in Reaxys

102.5

10

Gutmann; Scherhaufer; Monatshefte fuer Chemie; vol. 99; (1968); p. 335, View in Reaxys

115 - 123

26

Ogata et al.; Tetrahedron; vol. 24; (1968); p.

1617,1620, View in Reaxys

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2016-03-14 01:56:41

115 - 120

13

Caubere,P.; Loubinoux,B.; Bulletin de la Societe Chimique de France; (1968); p. 3857 - 3861, View in Reaxys

102 - 104

11.5

Kaiser et al.; Journal of Organic Chemistry; vol.

32; (1967); p. 3640,3643, View in Reaxys

77 - 78

4

Kaiser et al.; Journal of Organic Chemistry; vol.

32; (1967); p. 3640,3643, View in Reaxys

60

1

Russell et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 137,140, 146, 146, View in Reaxys

109 - 111

15

Lohaus; Chemische Berichte; vol. 100; nb. 8; (1967); p. 2719, View in Reaxys

120 - 123

Caubere; Bulletin de la Societe Chimique de France; (1967); p. 3446, View in Reaxys

233

Kao; Yen; Chien; Journal of the Chinese Chemical Society (Peking); vol. 2; (1934); p. 240, View in Reaxys; Fischer et al.; Pharmazeutische Zentralhalle; vol. 105; (1966); p. 73,74, View in Reaxys

118

25

Le Fevre et al.; Journal of the Chemical Society; (1965); p. 3619,3621, View in Reaxys

110 - 115

8

Sugimoto et al.; Chemical and Pharmaceutical Bulletin; vol. 10; (1962); p. 427, View in Reaxys

112 - 116

20

Sugimoto et al.; Chemical and Pharmaceutical Bulletin; vol. 10; (1962); p. 427, View in Reaxys

115 - 119

14

Lamant,M.; Le Moine,M.; Bulletin de la Societe Chimique de France; (1961); p. 1144 - 1146, View in Reaxys

232.4

760

Wright; Journal of Chemical and Engineering Data; vol. 6; (1961); p. 454, View in Reaxys; Wright; Recueil des Travaux Chimiques des Pays-Bas; vol. 79; (1960); p. 784,786, View in Reaxys

90.5 - 91

5

Friedman; Shechter; Journal of Organic Chemistry; vol. 25; (1960); p. 877,878, View in Reaxys

108 - 112

14

Eastham; Cannon; Journal of Organic Chemistry; vol. 25; (1960); p. 1504, View in Reaxys

231 - 232

745

Eastham; Cannon; Journal of Organic Chemistry; vol. 25; (1960); p. 1504, View in Reaxys

52 - 53

0.1

Ferris,A.F.; Journal of Organic Chemistry; vol. 25; (1960); p. 12 - 18, View in Reaxys

99 - 100

10

Trippett; Walker; Journal of the Chemical Society; (1960); p. 2976, View in Reaxys

230

Kindler; Schrader; Justus Liebigs Annalen der Chemie; vol. 564; (1949); p. 49,51, 52, View in Reaxys

108.5

15

Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys

109.5

15

Herz; Kohlrausch; Seewann-Albert; Monatshefte fuer Chemie; vol. 76; (1946); p. 112,120, View in Reaxys

231

755.8

Friend; Hargreaves; Phil. Mag.; vol. <7> 35; (1944); p. 619,628, View in Reaxys

107.1 - 107.3

12

Reitz; Stockmair; Monatshefte fuer Chemie; vol. 67; (1936); p. 92,99, View in Reaxys

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2016-03-14 01:56:41

115.2 - 115.4

19

Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys

128.5 - 129.5

31

Mitchell; Reid; Journal of the American Chemical Society; vol. 53; (1931); p. 327, View in Reaxys

110 - 111

14

Wuyts; Bulletin des Societes Chimiques Belges; vol. 39; (1930); p. 58,63, View in Reaxys

233.5

760

Grimm; Patrick; Journal of the American Chemical Society; vol. 45; (1923); p. 2799, View in Reaxys

233.9

760

Timmermans; Bulletin des Societes Chimiques Belges; vol. 31; (1922); p. 390; Bulletin des Societes Chimiques Belges; vol. 36; (1927); p. 505; Chem. Zentralbl.; vol. 94; nb. III; (1923); p. 1137, View in Reaxys

85

3

Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol.

78; (1912); p. 274; Chem. Zentralbl.; vol. 84; nb.

II; (1913); p. 209, View in Reaxys

118 - 119

20

Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol.

70; (1910); p. 575, View in Reaxys

233 - 234

760

231 - 232

755

Berthelot; Petit; Annales de Chimie (Cachan, France); vol. <6>18; (1889); p. 112, View in Reaxys

107 - 107.4

12

Anschuetz; Berns; Chemische Berichte; vol. 20; (1887); p. 1390, View in Reaxys

Fluessigkeit.

231.7

Perkin; Journal of the Chemical Society; vol. 69; (1896); p. 1241; Journal of the Chemical Society; vol. 77; (1900); p. 278, View in Reaxys

Hofmann,A. W.; Chemische Berichte; vol. 7; (1874); p. 519, View in Reaxys

Refractive Index (39) Refractive Index Wavelength (Refractive Index) [nm]

Temperature (Re- References fractive Index) [°C]

1.5011

589

20

Gaber, A. M.; El-Dean, A. M. Kamal; Atalla, A. A.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 80; nb. 1-4; (1993); p. 101 - 108, View in Reaxys

1.5223

589

20

Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol. 25; nb. 1.1; (1989); p. 1 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys

1.5214

589

20

Schroth, W.; Kluge, H.; Frach, R.; Hodek, W.; Schaedler, H. D.; Journal fuer Praktische Chemie (Leipzig); vol. 325; nb. 5; (1983); p.

787 - 802, View in Reaxys

1.52393

589

20

Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p. 127,128,129,132-135, View in Reaxys

1.519

589

23

Patent; Schering AG; DE2909871; (1979); Chem.Abstr.; vol. 93; nb.

239193, View in Reaxys

1.523

589

25

Mauret et al.; Bulletin de la Societe Chimique de France; (1976); p.

429, View in Reaxys

1.503

589

20

Castro; Selve; Bulletin de la Societe Chimique de France; (1971); p.

2296, View in Reaxys

1.512

589

20

Gillis; Dain; Journal of Organic Chemistry; vol. 36; (1971); p. 518, View in Reaxys

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2016-03-14 01:56:41

1.5207

589

20

Sachariewa et al.; Izvestiya na Otdelenieto za Khimicheski Nauki (Bulgarska Akademiya na Naukite); vol. 4; (1971); p. 427,428, 430, 433, View in Reaxys

1.5286

589

20

Monfort et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 67; (1970); p. 748,749-753, View in Reaxys

1.522

589

25

Caubere,P.; Loubinoux,B.; Bulletin de la Societe Chimique de France; (1968); p. 3857 - 3861, View in Reaxys

1.5211

589

25

Russell et al.; Journal of Organic Chemistry; vol. 32; (1967); p.

137,140, 146, 146, View in Reaxys

1.5211

589

20

Fischer; Neupauer; Mikrochemie; vol. 34; (1949); p. 319,322, View in Reaxys; Fischer et al.; Pharmazeutische Zentralhalle; vol.

105; (1966); p. 73,74, View in Reaxys

1.5198

589

25

Wright; Journal of Chemical and Engineering Data; vol. 6; (1961); p.

454, View in Reaxys; Wright; Recueil des Travaux Chimiques des Pays-Bas; vol. 79; (1960); p. 784,786, View in Reaxys

1.5209

589

24

Delaby et al.; Bulletin de la Societe Chimique de France; (1960); p.

864,867, View in Reaxys

1.5208

589

25

Ferris,A.F.; Journal of Organic Chemistry; vol. 25; (1960); p. 12 - 18, View in Reaxys

1.5237 - 1.5238

589

20 - 29

Friedman; Shechter; Journal of Organic Chemistry; vol. 25; (1960); p. 877,878, View in Reaxys

1.5183

656.3

20

Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys

1.5227

589

20

Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys

1.5316

486.1

20

Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys

1.5426

434.1

20

Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys

1.5225

589

20

Moll; Koll. Beih.; vol. 49; (1939); p. 1,7, View in Reaxys

1.5213

589

25

Kao; Yen; Chien; Journal of the Chinese Chemical Society (Peking); vol. 2; (1934); p. 240, View in Reaxys

1.5234

589

20

Kao; Yen; Chien; Journal of the Chinese Chemical Society (Peking); vol. 2; (1934); p. 240, View in Reaxys

1.5209

589

25

Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys

1.5233

589

20

Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys

1.5198

656.3

17

Cotton; Mouton; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 215, View in Reaxys

1.5243

589

17

Cotton; Mouton; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 215, View in Reaxys

1.5355

486.1

17

Cotton; Mouton; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 215, View in Reaxys

1.52133

656.3

16.9

Falk; Journal of the American Chemical Society; vol. 31; (1909); p.

808, View in Reaxys

1.5257

589

16.9

Falk; Journal of the American Chemical Society; vol. 31; (1909); p.

808, View in Reaxys

1.53705

486.1

16.9

Falk; Journal of the American Chemical Society; vol. 31; (1909); p.

808, View in Reaxys

1.52105

589

25

Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 59; (1907); p. 394; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 65; (1909); p. 143, View in Reaxys

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1.51977

656.3

20.2

Bruehl; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 16; (1895); p. 214; Chemische Berichte; vol. 26; (1893); p. 2515, View in Reaxys

1.52422

589

20.2

Bruehl; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 16; (1895); p. 214; Chemische Berichte; vol. 26; (1893); p. 2515, View in Reaxys

1.54552

434

20.2

Bruehl; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 16; (1895); p. 214; Chemische Berichte; vol. 26; (1893); p. 2515, View in Reaxys

1.52033

656.3

17.5

Eijkman; Recueil des Travaux Chimiques des Pays-Bas; vol. 12; (1893); p. 181; Recueil des Travaux Chimiques des Pays-Bas; vol. 14; (1895); p. 188, View in Reaxys

1.50144

589

17.5

Eijkman; Recueil des Travaux Chimiques des Pays-Bas; vol. 12; (1893); p. 181; Recueil des Travaux Chimiques des Pays-Bas; vol. 14; (1895); p. 188, View in Reaxys

1.53585

486.1

17.5

Eijkman; Recueil des Travaux Chimiques des Pays-Bas; vol. 12; (1893); p. 181; Recueil des Travaux Chimiques des Pays-Bas; vol. 14; (1895); p. 188, View in Reaxys

Density (40) 1 of 40

Density [g·cm-3]

1.00883

Measurement Tempera- 29.99 ture [°C] Syeda, Asra Banu; Koppula, Amara Jyothi; Boodida, Sathyanarayana; Nallani, Satyanarayana; Journal of Chemical and Engineering Data; vol. 55; nb. 3; (2010); p. 1405 - 1410, View in Reaxys 2 of 40

Density [g·cm-3]

1.00318E-06

Measurement Tempera- 34.99 ture [°C] Bachu, Ranjith Kumar; Patwari, Murali Krishna; Boodida, Sathyanarayana; Tangeda, Savitha Jyostna; Nallani, Satyanarayana; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 47; nb. 7; (2008); p. 1026 - 1031, View in Reaxys 3 of 40

Density [g·cm-3]

0.0010032

Measurement Tempera- 34.99 ture [°C] Bachu, Ranjith Kumar; Patwari, Murali Krishna; Syeda, Asra Banu; Boodida, Satyanarayana; Tangeda, Savitha Jyostna; Nallani, Satyanarayana; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 47; nb. 12; (2008); p. 1809 - 1813, View in Reaxys 4 of 40

Density [g·cm-3]

1.01532

Measurement Tempera- 24.99 ture [°C] Bachu, Ranjith Kumar; Patwari, Murali Krishna; Boodida, Sathyanarayana; Nallani, Satyanarayana; Journal of Chemical and Engineering Data; vol. 53; nb. 10; (2008); p. 2403 - 2407, View in Reaxys 5 of 40

Density [g·cm-3]

1.016

Measurement Tempera- 19.85 ture [°C] Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys 6 of 40

Density [g·cm-3]

1.0123

Measurement Tempera- 25 ture [°C] Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p.

815 - 820, View in Reaxys 7 of 40

Density [g·cm-3]

1.013

Reference Temperature [°C]

4

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Measurement Tempera- 25 ture [°C] Mauret et al.; Bulletin de la Societe Chimique de France; (1976); p. 429, View in Reaxys 8 of 40

Density [g·cm-3]

1.01

Reference Temperature [°C]

4

Measurement Tempera- 25 ture [°C] Monfort et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 67; (1970); p. 748,749-753, View in Reaxys 9 of 40

Density [g·cm-3]

0.8637 - 1.0125

Reference Temperature [°C]

4

Measurement Tempera- 25 - 200 ture [°C] del Rosario; Lind; Journal of Physical Chemistry; vol. 70; (1966); p. 2876,2877 - 2879, View in Reaxys 10 of 40

Density [g·cm-3]

1.0321

Reference Temperature [°C]

4

Measurement Tempera- 0 ture [°C] Wright; Journal of Chemical and Engineering Data; vol. 6; (1961); p. 454, View in Reaxys; Wright; Recueil des Travaux Chimiques des Pays-Bas; vol. 79; (1960); p. 784,786, View in Reaxys 11 of 40

Density [g·cm-3]

0.9659 - 1.0155

Reference Temperature [°C]

4

Measurement Tempera- 20 - 86 ture [°C] Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys 12 of 40

Density [g·cm-3]

0.8622 - 1.0149

Reference Temperature [°C]

4

Measurement Tempera- 18.2 - 200.1 ture [°C] Friend; Hargreaves; Phil. Mag.; vol. <7> 35; (1944); p. 619,628, View in Reaxys 13 of 40

Density [g·cm-3]

1.015

Reference Temperature [°C]

4

Measurement Tempera- 20 ture [°C] Suhrmann; Klein; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <B> 50; (1941); p. 35; Atti X. Congr. int. Chim.

Rom 1938; vol. Bd.; p. 2 S. 525, 529, View in Reaxys 14 of 40

Density [g·cm-3]

1.021

Measurement Tempera- 20 ture [°C] Moll; Koll. Beih.; vol. 49; (1939); p. 1,7, View in Reaxys 15 of 40

Density [g·cm-3]

1.0126

Reference Temperature [°C]

4

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Measurement Tempera- 25 ture [°C] Kao; Yen; Chien; Journal of the Chinese Chemical Society (Peking); vol. 2; (1934); p. 240, View in Reaxys 16 of 40

Density [g·cm-3]

1.0165

Reference Temperature [°C]

4

Measurement Tempera- 20 ture [°C] Kao; Yen; Chien; Journal of the Chinese Chemical Society (Peking); vol. 2; (1934); p. 240, View in Reaxys 17 of 40

Density [g·cm-3]

0.9914

Reference Temperature [°C]

4

Measurement Tempera- 50 ture [°C] Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys 18 of 40

Density [g·cm-3]

1.0119

Reference Temperature [°C]

4

Measurement Tempera- 25 ture [°C] Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys 19 of 40

Density [g·cm-3]

1.0172

Reference Temperature [°C]

20

Measurement Tempera- 20 ture [°C] Wuyts; Bulletin des Societes Chimiques Belges; vol. 39; (1930); p. 58,63, View in Reaxys 20 of 40

Density [g·cm-3]

0.992

Reference Temperature [°C]

4

Measurement Tempera- 51 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys 21 of 40

Density [g·cm-3]

1.015

Reference Temperature [°C]

4

Measurement Tempera- 21.5 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys 22 of 40

Density [g·cm-3]

1.032

Reference Temperature [°C]

4

Measurement Tempera- 1.3 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys 23 of 40

Density [g·cm-3]

0.9792

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Reference Temperature [°C]

4

Measurement Tempera- 60 ture [°C] Turner; Merry; Journal of the Chemical Society; vol. 97; (1910); p. 2076, View in Reaxys 24 of 40

Density [g·cm-3]

0.9939

Reference Temperature [°C]

4

Measurement Tempera- 45 ture [°C] Turner; Merry; Journal of the Chemical Society; vol. 97; (1910); p. 2076, View in Reaxys 25 of 40

Density [g·cm-3]

1.0076

Reference Temperature [°C]

4

Measurement Tempera- 30 ture [°C] Turner; Merry; Journal of the Chemical Society; vol. 97; (1910); p. 2076, View in Reaxys 26 of 40

Density [g·cm-3]

1.0157

Reference Temperature [°C]

4

Measurement Tempera- 20 ture [°C] Turner; Merry; Journal of the Chemical Society; vol. 97; (1910); p. 2076, View in Reaxys 27 of 40

Density [g·cm-3]

1.0181

Measurement Tempera- 18 ture [°C] Dawson; Journal of the Chemical Society; vol. 97; (1910); p. 1046, View in Reaxys 28 of 40

Density [g·cm-3]

1.0325

Reference Temperature [°C]

4

Measurement Tempera- 0 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 65; (1909); p. 134; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 66; (1909); p. 395,427, View in Reaxys 29 of 40

Density [g·cm-3]

1.0125

Reference Temperature [°C]

4

Measurement Tempera- 0 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 65; (1909); p. 134; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 66; (1909); p. 395,427, View in Reaxys 30 of 40

Density [g·cm-3]

1.0166

Reference Temperature [°C]

0

Measurement Tempera- 22.1 ture [°C] Falk; Journal of the American Chemical Society; vol. 31; (1909); p. 808, View in Reaxys 31 of 40

Density [g·cm-3]

0.9775

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Reference Temperature [°C]

4

Measurement Tempera- 70 ture [°C] Falk; Journal of the American Chemical Society; vol. 31; (1909); p. 808, View in Reaxys 32 of 40

Density [g·cm-3]

1.0345

Reference Temperature [°C]

4

Measurement Tempera- 0 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 55; (1906); p. 220, View in Reaxys 33 of 40

Density [g·cm-3]

1.0148

Reference Temperature [°C]

4

Measurement Tempera- 25 ture [°C] Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 55; (1906); p. 220, View in Reaxys 34 of 40

Density [g·cm-3]

1.0296

Reference Temperature [°C]

4

Measurement Tempera- 4 ture [°C] Perkin; Journal of the Chemical Society; vol. 69; (1896); p. 1241; Journal of the Chemical Society; vol. 77; (1900); p.

278, View in Reaxys 35 of 40

Density [g·cm-3]

1.0214

Reference Temperature [°C]

15

Measurement Tempera- 15 ture [°C] Perkin; Journal of the Chemical Society; vol. 69; (1896); p. 1241; Journal of the Chemical Society; vol. 77; (1900); p.

278, View in Reaxys 36 of 40

Density [g·cm-3]

1.0154

Reference Temperature [°C]

25

Measurement Tempera- 25 ture [°C] Perkin; Journal of the Chemical Society; vol. 69; (1896); p. 1241; Journal of the Chemical Society; vol. 77; (1900); p.

278, View in Reaxys 37 of 40

Density [g·cm-3]

1.0176

Reference Temperature [°C]

4

Measurement Tempera- 20.2 ture [°C] Bruehl; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 16; (1895); p. 214; Chemische Berichte; vol. 26; (1893); p. 2515, View in Reaxys 38 of 40

Density [g·cm-3]

1.0171

Reference Temperature [°C]

4

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Measurement Tempera- 17.5 ture [°C] Eijkman; Recueil des Travaux Chimiques des Pays-Bas; vol. 12; (1893); p. 181; Recueil des Travaux Chimiques des Pays-Bas; vol. 14; (1895); p. 188, View in Reaxys 39 of 40

Density [g·cm-3]

1.0146

Measurement Tempera- 18 ture [°C] Hofmann,A. W.; Chemische Berichte; vol. 7; (1874); p. 519, View in Reaxys 40 of 40

Density [g·cm-3]

1.0155

Measurement Tempera- 8 ture [°C] Radziszewski; Chemische Berichte; vol. 3; (1870); p. 198, View in Reaxys Adsorption (MCS) (4) 1 of 4

Description (Adsorption (MCS))

Enthalpy of adsorption

Solvent (Adsorption (MCS))

aq. HNO3

Partner (Adsorption (MCS))

Cu

Fouda, A. S.; Al-Naimi, I. S.; Bulletin de la Societe Chimique de France; nb. 1; (1991); p. 35 - 38, View in Reaxys 2 of 4

Description (Adsorption (MCS))

Further physical properties of the adsorbed molecule

Temperature (Adsorption (MCS)) [°C]

21.4

Partner (Adsorption (MCS))

Cyclopentane

Pyzuk, Wieslaw; Krupkowski, Teodor; Dolecki, Jerzy; Paduszek, Barbara; Polish Journal of Chemistry; vol. 56; nb. 10-12; (1982); p. 1477 - 1482, View in Reaxys 3 of 4

Description (Adsorption (MCS))

Adsorption to title compound

Partner (Adsorption (MCS))

CO

Gjaldbaek, J. C.; Andersen, E. K.; Acta Chemica Scandinavica (1947-1973); vol. 8; (1954); p. 1398 - 1413, View in Reaxys; vol. C: MVol.C1; 119, page 277 - 284 ; (from Gmelin), View in Reaxys 4 of 4

Description (Adsorption (MCS))

Adsorption to title compound

Partner (Adsorption (MCS))

CO2

Gjaldbaek, J. C.; Andersen, E. K.; Acta Chemica Scandinavica (1947-1973); vol. 8; (1954); p. 1398 - 1413, View in Reaxys; vol. C: MVol.C1; 215, page 548 - 568 ; (from Gmelin), View in Reaxys Association (MCS) (21) 1 of 21

Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))

acetonitrile

Partner (Association (MCS))

TCNB

Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys 2 of 21

Description (Association IR spectrum of the complex (MCS))

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Partner (Association (MCS))

antimony(V) fluoride

Hoti, Ramiz; Mihalic, Zlatko; Vancik, Hrvoj; Croatica Chemica Acta; vol. 68; nb. 2; (1995); p. 359 - 371, View in Reaxys 3 of 21

Description (Association Dipole moment of the complex (MCS)) Solvent (Association (MCS))

cyclohexane

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

chloroform

Deb, Sumit; Bhat, Subray N.; Journal of the Indian Chemical Society; vol. 71; nb. 1; (1994); p. 53 - 56, View in Reaxys 4 of 21

Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

20 - 50

Partner (Association (MCS))

phenol

Gramstad, Thor; Stangeland, Leiv Jonn; Acta Chemica Scandinavica; vol. 47; nb. 6; (1993); p. 605 - 609, View in Reaxys 5 of 21

Description (Association Stability constant of the complex with ...

(MCS)) Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

20 - 50

Partner (Association (MCS))

phenol

Gramstad, Thor; Stangeland, Leiv Jonn; Acta Chemica Scandinavica; vol. 47; nb. 6; (1993); p. 605 - 609, View in Reaxys 6 of 21

Description (Association Stability constant of the complex with ...

(MCS)) Solvent (Association (MCS))

dioxane

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

lithium picrate

Tsvetanov, Ch. B.; Petrova, E. B.; Dimov, D. K.; Panayotov, I. M.; Smid, J.; Journal of Solution Chemistry; vol. 19; nb. 5; (1990); p. 425 - 436, View in Reaxys 7 of 21

Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))

CHCl3

Partner (Association (MCS))

Cr(CO)3

Boutonnet, Jean-Charles; Rose-Munch, Francoise; Rose, Eric; Semra, Assia; Bulletin de la Societe Chimique de France; nb. 4; (1987); p. 640 - 648, View in Reaxys

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8 of 21

Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))

CDCl3

Partner (Association (MCS))

Cr(CO)3

Boutonnet, Jean-Charles; Rose-Munch, Francoise; Rose, Eric; Semra, Assia; Bulletin de la Societe Chimique de France; nb. 4; (1987); p. 640 - 648, View in Reaxys 9 of 21

Description (Association Further physical properties of the complex (MCS)) Partner (Association (MCS))

Cyclopentane

Pyzuk, Wieslaw; Journal of Physical Chemistry; vol. 90; nb. 4; (1986); p. 699 - 702, View in Reaxys 10 of 21

Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))

CH2Cl2

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

boron trifluoride

Maria, Pierre-Charles; Gal, Jean-Francois; Journal of Physical Chemistry; vol. 89; nb. 7; (1985); p. 1296 - 1304, View in Reaxys 11 of 21

Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

35

Partner (Association (MCS))

tetramethylurea

Takagi, Tatsuya; Fujiwara, Hideaki; Sasaki, Yoshio; Bulletin of the Chemical Society of Japan; vol. 57; nb. 5; (1984); p. 1299 - 1303, View in Reaxys 12 of 21

Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

35

Partner (Association (MCS))

butyl sulfoxide

Takagi, Tatsuya; Fujiwara, Hideaki; Sasaki, Yoshio; Bulletin of the Chemical Society of Japan; vol. 57; nb. 5; (1984); p. 1299 - 1303, View in Reaxys 13 of 21

Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

35

Partner (Association (MCS))

tetramethylurea

Takagi, Tatsuya; Fujiwara, Hideaki; Sasaki, Yoshio; Bulletin of the Chemical Society of Japan; vol. 57; nb. 5; (1984); p. 1299 - 1303, View in Reaxys

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14 of 21

Description (Association NMR spectrum of the complex (MCS)) Solvent (Association (MCS))

CCl4

Temperature (Association (MCS)) [°C]

35

Partner (Association (MCS))

butyl sulfoxide

Takagi, Tatsuya; Fujiwara, Hideaki; Sasaki, Yoshio; Bulletin of the Chemical Society of Japan; vol. 57; nb. 5; (1984); p. 1299 - 1303, View in Reaxys 15 of 21

Description (Association Association with compound (MCS)) Temperature (Association (MCS)) [°C]

23

Partner (Association (MCS))

benzene

Fessenden, Richard W.; Hitachi, A.; Nagarajan, V.; Journal of Physical Chemistry; vol. 88; nb. 1; (1984); p. 107 110, View in Reaxys 16 of 21

Description (Association Association with compound (MCS)) Temperature (Association (MCS)) [°C]

23

Partner (Association (MCS))

cyclohexane

Fessenden, Richard W.; Hitachi, A.; Nagarajan, V.; Journal of Physical Chemistry; vol. 88; nb. 1; (1984); p. 107 110, View in Reaxys 17 of 21

Description (Association Association with compound (MCS)) Temperature (Association (MCS)) [°C]

23

Partner (Association (MCS))

decane

Fessenden, Richard W.; Hitachi, A.; Nagarajan, V.; Journal of Physical Chemistry; vol. 88; nb. 1; (1984); p. 107 110, View in Reaxys 18 of 21

Description (Association Stability constant of the complex with ...

(MCS)) Anderson; Norbury; Journal of the Chemical Society, Chemical Communications; (1975); p. 48, View in Reaxys

19 of 21

Description (Association Association with compound (MCS)) Barakat et al.; Transactions of the Faraday Society; vol. 65; (1969); p. 41,43, View in Reaxys; White; Thompson; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 291; (1966); p. 460,462, View in Reaxys

20 of 21

Description (Association Enthalpy of association (MCS)) Barakat et al.; Transactions of the Faraday Society; vol. 65; (1969); p. 41,43, View in Reaxys; Gutmann; Scherhaufer; Monatshefte fuer Chemie; vol. 99; (1968); p. 335, View in Reaxys

21 of 21

Description (Association Spectrum of the complex (MCS)) Comment (Association (MCS))

Frequenz der CN-Valenzschwingung und der CN-Deformationsschwingung.

Hidalgo; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 249; (1959); p. 395, View in Reaxys Chromatographic Data (5)

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Chromatographic data

Location

References

GC (Gas chromatography)

Brokl, Michal; Fauconnier, Marie-Laure; Benini, Celine; Lognay, Georges; Du Jardin, Patrick; Focant, Jean-Francois; Molecules; vol. 18; nb. 2; (2013); p. 1783 - 1797, View in Reaxys; Liu, Zhi-Hua; Liu, Chun-Bo; Chen, Yong-Kuan; He, Xi-Yong; Sun, ZhiYong; Miao, Ming-Ming; Asian Journal of Chemistry; vol. 25; nb. 3; (2013); p. 1265 - 1269, View in Reaxys; Zhou; Lv; Jiang; Wu; Lian; Wang; Meng; Asian Journal of Chemistry; vol. 27; nb. 5; (2015); p. 1899 - 1902, View in Reaxys; Lv, Shidong; Wu, Yuanshuang; Wei, Jifu; Lian, Ming; Wang, Chen; Gao, Xuemei; Meng, Qingxiong; RSC Advances; vol. 5; nb. 107; (2015); p. 87806 - 87817, View in Reaxys; Nielsen, Lasse Janniche; Moller, Birger Lindberg; Phytochemistry (Elsevier); vol. 120; (2015); p. 3 - 18, View in Reaxys

HPLC (High performance liquid chromatography)

Gooding, Owen W.; Lindberg, Thomas; Miller, Wendy; Munyak, Edward; Vo, Lanchi; Organic Process Research and Development; vol. 5; nb. 3; (2001); p. 283 - 293, View in Reaxys; Yang, Guang-Hui; Liu, Ming; Li, Na; Wu, Ran; Chen, Xu; Pan, LingLing; Gao, Shang; Huang, Xing; Wang, Chen; Yu, Chuan-Ming; European Journal of Organic Chemistry; vol. 2015; nb. 3; (2015); p. 616 - 624, View in Reaxys

TLC (Thin layer chromatography)

supporting information

Lakshman, Mahesh K.; Singh, Manish K.; Kumar, Mukesh; Chamala, Raghu Ram; Yedulla, Vijayender R.; Wagner, Domenick; Leung, Evan; Yang, Lijia; Matin, Asha; Ahmad, Sadia; Beilstein Journal of Organic Chemistry; vol. 10; (2014); p. 1919 - 1932, View in Reaxys; Dighe, Shashikant U.; Chowdhury, Deepan; Batra, Sanjay; Advanced Synthesis and Catalysis; vol. 356; nb. 18; (2014); p. 3892 - 3896, View in Reaxys

GC (Gas chroma- supporting infortography) mation

Wang, Kaige; Brown, Robert C.; Green Chemistry; vol. 15; nb. 3; (2013); p. 675 - 681, View in Reaxys

HPLC (High performance liquid chromatography)

Dev, Dharm; Palakurthy, Nani Babu; Kumar, Nitesh; Mandal, Bhubaneswar; Tetrahedron Letters; vol. 54; nb. 33; (2013); p. 4397 - 4400, View in Reaxys

supporting information

Conformation (1) Object of Investi- References gation Conformation

Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem.

USSR (Engl. Transl.); vol. 58; nb. 2; (1988); p. 457 - 462,398 - 401, View in Reaxys

Crystal Property Description (6) Colour & Other Location Properties yellow

References Sugimoto, Osamu; Harada, Yukihiro; Tanji, Ken-Ichi; Heterocycles; vol. 86; nb. 2; (2012); p. 1583 - 1590, View in Reaxys; Keita, Massaba; Vandamme, Mathilde; Paquin, Jean-Franois; Synthesis (Germany); vol. 47; nb. 23; (2015); p. 3758 - 3766; Art.No: SS-2015-M0394-OP, View in Reaxys

colourless

supporting information

Patil, Umakant B.; Shendage, Suresh S.; Nagarkar, Jayashree M.; Synthesis (Germany); vol. 45; nb. 23; (2013); p. 3295 - 3299, View in Reaxys; Noei, Jalil; Mirjafari, Arsalan; Tetrahedron Letters; vol. 55; nb. 32; (2014); p. 4424 - 4426, View in Reaxys; Dighe, Shashikant U.; Chowdhury, Deepan; Batra, Sanjay; Advanced Synthesis and Catalysis; vol. 356; nb. 18; (2014); p. 3892 - 3896, View in Reaxys; Zou, Tao; Yu, Xiaoqiang; Feng, Xiujuan; Bao, Ming; Chemical Communications; vol. 51; nb. 53; (2015); p. 10714 - 10717, View in Reaxys; Nambo, Masakazu; Yar, Muhammad; Smith, Joel D.; Crudden, Cathleen M.; Organic Letters; vol. 17; nb. 1; (2015); p. 50 - 53, View in Reaxys

yellow

supporting information

Rai, Ankita; Yadav, Lal Dhar S.; European Journal of Organic Chemistry; nb. 10; (2013); p. 1889 - 1893, View in Reaxys; Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning; Angewandte Chemie - International Edition; vol. 52; nb. 26; (2013); p. 6677 - 6680; Angew.

Chem.; vol. 125; nb. 26; (2013); p. 6809 - 6612,4, View in Reaxys; Tang, Hai-Tao; Zhou, Yun-Bing; Zhu, Yu; Sun, Hong-Chao; Lin, Min; Zhan, Zhuang-Ping; Chemistry - An Asian Journal; vol. 9; nb. 5; (2014); p. 1278 - 1281, View in Reaxys; Lakshman, Mahesh K.; Singh, Manish K.; Kumar, Mukesh; Chamala, Raghu Ram; Yedulla, Vijayender R.; Wagner, Domenick; Leung, Evan; Yang, Lijia; Matin, Asha; Ahmad, Sadia; Beilstein Journal of Organic Chemistry; vol. 10; (2014); p. 1919 - 1932, View in Reaxys

colourless

Shimojo, Hiroyuki; Moriyama, Katsuhiko; Togo, Hideo; Synthesis (Germany); vol. 45; nb. 15; (2013); p. 2155 - 2164; Art.No: SS-2013-F0311-OP, View in Reaxys

yellow

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys

colourless

supporting information

Hanada, Shiori; Motoyama, Yukihiro; Nagashima, Hideo; European Journal of Organic Chemistry; nb. 24; (2008); p. 4097 - 4100, View in Reaxys; Zhou, Shaolin; Junge, Kathrin;

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Addis, Daniele; Das, Shoubhik; Beller, Matthias; Organic Letters; vol. 11; nb. 11; (2009); p. 2461 - 2464, View in Reaxys; Zhu, Chenjie; Ji, Lei; Wei, Yunyang; Synthesis; nb. 18; (2010); p. 3121 - 3125, View in Reaxys; Zhu, Chenjie; Sun, Chengguo; Wei, Yunyang; Synthesis; nb. 24; (2010); p. 4235 - 4241; Art.No: F14610SS, View in Reaxys; Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei; Angewandte Chemie - International Edition; vol. 50; nb. 19; (2011); p. 4470 - 4474, View in Reaxys Decomposition (1) 1 of 1

Bengelsdorf; Journal of Organic Chemistry; vol. 28; (1963); p. 1369,1371, View in Reaxys

Dielectric Constant (5) Dielectric ConFrequency (Diestant lectric Constant) [Hz]

Temperature (Die- References lectric Constant) [°C]

19.5

20

2E+06

Laurence, Christian; Nicolet, Pierre; Dalati, M. Tawfik; Abboud, Jose-Luis M.; Notario, Rafael; Journal of Physical Chemistry; vol. 98; nb. 23; (1994); p. 5807 - 5816, View in Reaxys Decroocq; Jungers; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 252; (1961); p. 1454,1455, View in Reaxys; del Rosario; Lind; Journal of Physical Chemistry; vol. 70; (1966); p. 2876,2877 - 2879, View in Reaxys; Le Fevre et al.; Journal of the Chemical Society; (1965); p. 3619,3621, View in Reaxys; Forest; Smyth; Journal of the American Chemical Society; vol. 86; (1964); p. 3474,3475, View in Reaxys

16.8

51

Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys

18.23

21.5

Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys

19.95

1.3

Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 70; (1910); p. 575, View in Reaxys

Dissociation Energy (4) Dissociation Ener- Bond Type gy [Jmol-1]

References

504509

C(+)/H(-)

Zhang, Xian-Man; Bruno, Joseph W.; Enyinnaya, Emmeline; Journal of Organic Chemistry; vol. 63; nb. 14; (1998); p. 4671 - 4678, View in Reaxys

342899

H-C

Bordwell; Cheng, Jin-Pei; Ji, Guo-Zhen; Satish; Zhang, Xianman; Journal of the American Chemical Society; vol. 113; nb. 26; (1991); p. 9790 - 9795, View in Reaxys

344155

α-C-H

Bordwell, F. G.; Cheng, Jin-Pei; Harrelson, John A. Jr.; Journal of the American Chemical Society; vol. 110; nb. 4; (1988); p. 1229 - 1231, View in Reaxys McMahon; Kebarle; Journal of the American Chemical Society; vol. 96; (1974); p. 5940, View in Reaxys

Dissociation Exponent (16) 1 of 16

Dissociation Exponent (pK)

22

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

DE

Do, Jungho; Kim, Sung-Gon; Tetrahedron Letters; vol. 52; nb. 18; (2011); p. 2353 - 2355, View in Reaxys 2 of 16

Dissociation Exponent (pK)

22

Type (Dissociation Exponent)

a1/apparent

Vleggaar, Robert; Zeevaart, Jacob G.; Tetrahedron Letters; vol. 40; nb. 52; (1999); p. 9301 - 9303, View in Reaxys 3 of 16

Dissociation Exponent (pK)

21.9

Dissociation Group

H-C

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Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

dimethylsulfoxide

Type (Dissociation Exponent)

a1/apparent

Bordwell; Cheng, Jin-Pei; Ji, Guo-Zhen; Satish; Zhang, Xianman; Journal of the American Chemical Society; vol. 113; nb. 26; (1991); p. 9790 - 9795, View in Reaxys 4 of 16

Type (Dissociation Exponent)

a1/apparent

Artamkina, G. A.; Kovalenko, S. V.; Beletskaya, I. P.; Reutov, O. A.; Journal of Organic Chemistry USSR (English Translation); vol. 26; nb. 5.1; (1990); p. 801 - 806; Zhurnal Organicheskoi Khimii; vol. 26; nb. 5; (1990); p. 933 - 939, View in Reaxys 5 of 16

Dissociation Exponent (pK)

21.91

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

dimethylsulfoxide

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Bowden, Keith; Hirani, Shamin I. J.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1990); p. 1889 - 1891, View in Reaxys 6 of 16

Dissociation Exponent (pK)

21.7

Temperature (Dissociation Exponent) [°C]

25

Solvent (Dissociation Exponent)

dimethylsulfoxide

Type (Dissociation Exponent)

a1/apparent

Bordwell, F. G.; Branca, John C.; Bares, Joseph E.; Filler, Robert; Journal of Organic Chemistry; vol. 53; nb. 4; (1988); p. 780 - 782, View in Reaxys 7 of 16

Comment (Dissociation Exponent)

(pk')pK

Bordwell et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 3095,3096, View in Reaxys 8 of 16

Comment (Dissociation Exponent)

(pk')pk

Lebedeva et al.; Zhurnal Organicheskoi Khimii; vol. 13; (1977); p. 905,829, View in Reaxys 9 of 16

Comment (Dissociation Exponent)

(pk')

Petrov et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 25; (1976); p. 762,763,764; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 25; (1976); p. 782, View in Reaxys 10 of 16

Comment (Dissociation Exponent)

(k')Saeurestaerke in der Gasphase (Tab.II)

Mc Mahon; Ke Garle; Journal of the American Chemical Society; vol. 98; (1976); p. 3399, View in Reaxys 11 of 16

Comment (Dissociation Exponent)

(pk')pK (DMSO)

Bordwell et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 3226, View in Reaxys

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12 of 16

Comment (Dissociation Exponent)

(pk')pK (Tab. 1)

Lebedeva et al.; Doklady Physical Chemistry; vol. 220-225; (1975); p. 1208, View in Reaxys 13 of 16

Comment (Dissociation Exponent)

(pk')pK(AH)

Zaharieva et al.; Tetrahedron Letters; (1971); p. 1663, View in Reaxys 14 of 16

Comment (Dissociation Exponent)

(pk')pK(AH) (S.433)

Sachariewa et al.; Izvestiya na Otdelenieto za Khimicheski Nauki (Bulgarska Akademiya na Naukite); vol. 4; (1971); p. 427,428, 430, 433, View in Reaxys 15 of 16

Comment (Dissociation Exponent)

(pk')pK(HB)

Martin et al.; Journal fuer Praktische Chemie (Leipzig); vol. 312; (1970); p. 797,799, View in Reaxys 16 of 16

Comment (Dissociation Exponent)

(pk')pK(A)H2O

Martin et al.; Journal fuer Praktische Chemie (Leipzig); vol. 312; (1970); p. 797,799, View in Reaxys Dynamic Viscosity (5) Kind of measure- Dynamic Viscosity Temperature (Dy- References ment (Dynamic [P] namic Viscosity) Viscosity) [°C]

using Ubbelohde viscometer

0.01761

29.99

Syeda, Asra Banu; Koppula, Amara Jyothi; Boodida, Sathyanarayana; Nallani, Satyanarayana; Journal of Chemical and Engineering Data; vol. 55; nb. 3; (2010); p. 1405 - 1410, View in Reaxys

15845

34.99

Bachu, Ranjith Kumar; Patwari, Murali Krishna; Boodida, Sathyanarayana; Tangeda, Savitha Jyostna; Nallani, Satyanarayana; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 47; nb. 7; (2008); p. 1026 - 1031, View in Reaxys

15.845

34.99

Bachu, Ranjith Kumar; Patwari, Murali Krishna; Syeda, Asra Banu; Boodida, Satyanarayana; Tangeda, Savitha Jyostna; Nallani, Satyanarayana; Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry; vol. 47; nb. 12; (2008); p. 1809 - 1813, View in Reaxys

0.003312 0.02325

18.2 - 200.1

Friend; Hargreaves; Phil. Mag.; vol. <7> 35; (1944); p. 619,628, View in Reaxys

0.0197

25

Dunstan; Hilditch; Thole; Journal of the Chemical Society; vol. 103; (1913); p. 140, View in Reaxys

Electrical Data (6) 1 of 6

Description (Electrical Data)

Electrical conductivity

Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 46; (1903); p. 174; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 54; (1906); p. 163, View in Reaxys; Schlundt; Chem. Zentralbl.; vol. 72; nb. I; (1901); p. 1135, View in Reaxys; del Rosario; Lind; Journal of Physical Chemistry; vol. 70; (1966); p. 2876,2877 - 2879, View in Reaxys 2 of 6

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- bei 25grad. ta) Koch; Journal of the Chemical Society; (1928); p. 272, View in Reaxys 3 of 6

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- von Tetramethylammoniumjodid in Benzylcyanid bei 25grad. ta) Walden; Chem. Zentralbl.; vol. 84; nb. II; (1913); p. 331, View in Reaxys

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4 of 6

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- von Tetrapropylammoniumjodid in Benzylcyanid bei 25grad. ta) Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 78; (1912); p. 274; Chem. Zentralbl.; vol. 84; nb. II; (1913); p. 209, View in Reaxys 5 of 6

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- von Tetraaethylammoniumjodid in Benzylcyanid bei 20-60grad unter 1-3000 kg/cm2 Druck. ta) Schmidt; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 75; (1911); p. 316, View in Reaxys 6 of 6

Description (Electrical Data)

Electrical conductivity

Comment (Electrical Da- von Tetraaethylammoniumjodid in Benzylcyanid bei tiefen Temperaturen. ta) Walden; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 73; (1910); p. 261, View in Reaxys Electrical Moment (7) 1 of 7

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.8

Temperature (Electrical Moment) [°C]

25

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

cyclohexane

Deb, Sumit; Bhat, Subray N.; Journal of the Indian Chemical Society; vol. 71; nb. 1; (1994); p. 53 - 56, View in Reaxys 2 of 7

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.52

Temperature (Electrical Moment) [°C]

25

Solvent (Electrical Moment)

CCl4

Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem. USSR (Engl.

Transl.); vol. 58; nb. 2; (1988); p. 457 - 462,398 - 401, View in Reaxys 3 of 7

Description (Electrical Moment)

Dipole moment

Camail et al.; Journal of Physical Chemistry; vol. 79; (1975); p. 1962,1963-1965, View in Reaxys; Mauret et al.; Bulletin de la Societe Chimique de France; (1976); p. 429, View in Reaxys; Gramstad; Tjessem; Journal of Molecular Structure; vol. 41; (1977); p. 231,233, 235, 236, View in Reaxys 4 of 7

Description (Electrical Moment)

Dipole moment

Comment (Electrical Mo- (Dioxan) 25grad ment) Chin et al.; Journal of the Chemical Society [Section] B: Physical Organic; (1970); p. 304,308, View in Reaxys 5 of 7

Description (Electrical Moment)

Dipole moment

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Comment (Electrical Mo- CCl4 ment) Le Fevre et al.; Journal of the Chemical Society; (1965); p. 3619,3621, View in Reaxys 6 of 7

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.47

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

benzene

Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys 7 of 7

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.55

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

heptane

Smyth; Walls; Journal of the American Chemical Society; vol. 54; (1932); p. 1854,1858, View in Reaxys Electrical Polarizability (2) Description (Elec- References trical Polarizability) Polarizability

Pogliani, Lionello; New Journal of Chemistry; vol. 27; nb. 6; (2003); p. 919 - 927, View in Reaxys

Optical anisotropy Camail et al.; Journal of Physical Chemistry; vol. 79; (1975); p. 1962,1963-1965, View in Reaxys Electrochemical Behaviour (5) Description (Elec- Comment (Electrochemical Betrochemical Behaviour) haviour) Deprotonation

References

in the presence of Makosza, Mieczyslaw; Chesnokov, Alexey; Tetrahedron; vol. 64; nb. 25; (2008); p. 5925 additives - 5932, View in Reaxys

Electrolytic dissociation / protonation equilibrium

Artamkina, G. A.; Kovalenko, S. V.; Beletskaya, I. P.; Reutov, O. A.; Journal of Organic Chemistry USSR (English Translation); vol. 26; nb. 5.1; (1990); p. 801 - 806; Zhurnal Organicheskoi Khimii; vol. 26; nb. 5; (1990); p. 933 - 939, View in Reaxys; Antipin, Igor S.; Gareyev, Roustam F.; Vedernikov, Andrey N.; Konovalov, Alexander I.; Journal of Physical Organic Chemistry; vol. 7; nb. 4; (1994); p. 181 - 191, View in Reaxys

Thermodynamic parameters for dissociation / protonation

Arnett, Edward M.; Venkatasubramaniam, K. G.; Journal of Organic Chemistry; vol. 48; nb. 10; (1983); p. 1569 - 1578, View in Reaxys

Acidity

Cumming; Kebarle; Canadian Journal of Chemistry; vol. 56; (1978); p. 1,5, View in Reaxys; Lebedeva et al.; Zhurnal Organicheskoi Khimii; vol. 13; (1977); p. 905,829, View in Reaxys

Basicity

Coetzee; McGuire; Journal of Physical Chemistry; vol. 67; (1963); p. 1810, View in Reaxys

Electrochemical Characteristics (1) 1 of 1

Description (Electrochemical Characteristics)

oxidation potential

Bordwell; Zhang, Xian-Man; Alnajjar, Mikhail S.; Journal of the American Chemical Society; vol. 114; nb. 20; (1992); p. 7623 - 7629, View in Reaxys; Bordwell, F. G.; Cheng, Jin-Pei; Harrelson, John A. Jr.; Journal of the American Chemical Society; vol. 110; nb. 4; (1988); p. 1229 - 1231, View in Reaxys; Bordwell, Frederick G.; Zhang, Xian-Man; Filler, Robert; Journal of Organic Chemistry; vol. 58; nb. 22; (1993); p. 6067 - 6071, View in Reaxys Electron Binding (1)

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Description (Elec- References tron Binding) Electron affinity

Mc Mahon; Ke Garle; Journal of the American Chemical Society; vol. 98; (1976); p. 3399, View in Reaxys

Energy Barriers (1) References McMahon; Kebarle; Journal of the American Chemical Society; vol. 96; (1974); p. 5940, View in Reaxys Energy Data (MCS) (2) 1 of 2

Description (Energy Data (MCS))

Enthalpy of solution

Arnett et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 5598, View in Reaxys 2 of 2

Description (Energy Data (MCS))

Enthalpy of mixing

Solvent (Energy Data (MCS))

H2SO4

Hantzsch; Chemische Berichte; vol. 64; (1931); p. 667,674, View in Reaxys Enthalpy of Combustion (2) Enthalpy of Com- Temperature (En- Pressure (Enthal- References bustion [Jmol-1] thalpy of Combus- py of Combustion) tion) [°C] [Torr] -4.28411E+06

25

750.06

-4.2864E+06

Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys Berthelot; Petit; Annales de Chimie (Cachan, France); vol. <6>18; (1889); p. 112, View in Reaxys

Enthalpy of Formation (3) Enthalpy of ForTemperature (En- Pressure (Enthalmation [Jmol-1] thalpy of Formapy of Formation) tion) [°C] [Torr]

References

135600

25

750.06

Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys

196200

25

750.06

Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys Bordwell et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 3226, View in Reaxys

Enthalpy of Vaporization (2) Enthalpy of VaTemperature (En- Pressure (Enthalporization thalpy of Vaporipy of Vaporiza[Jmol-1] zation) [°C] tion) [Torr] 60540

25

750.06

References

Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys Wright; Recueil des Travaux Chimiques des Pays-Bas; vol. 79; (1960); p. 784,786, View in Reaxys

Further Information (38) Description (Fur- References ther Information) Further information

Crewe et al.; Journal of Chemical Ecology; vol. 5; (1979); p. 861,864, View in Reaxys

Further information

Deschamps et al.; Tetrahedron Letters; (1979); p. 1377,1379, View in Reaxys

Further information

Gramstad; Tjessem; Journal of Molecular Structure; vol. 41; (1977); p. 231,233, 235, 236, View in Reaxys

Further information

Bank; Thomas; Journal of Organic Chemistry; vol. 42; (1977); p. 2858,2864, View in Reaxys

Further information

Juchnovski et al.; Tetrahedron Letters; (1976); p. 1519,1520, View in Reaxys

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Further information

Cornish; Eaborn; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1975); p. 874, View in Reaxys

Further information

Fluck; Steck; Phosphorus and Sulfur and the Related Elements; vol. 1; (1972); p. 283, View in Reaxys

Further information

Das; Wilkie.; Journal of the American Chemical Society; vol. 94; (1972); p. 4555, View in Reaxys

Further information

Hasan; Ghatak; Indian Journal of Physics (1926-1976); vol. 45; (1971); p. 558,561, View in Reaxys

Further information

Hanstein et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 829,831, View in Reaxys

Further information

Buchs; Helvetica Chimica Acta; vol. 53; (1970); p. 2026, View in Reaxys

Further information

Csueroes et al.; Acta Chimica Academiae Scientiarum Hungaricae; vol. 63; (1970); p. 425, View in Reaxys

Further information

Heerma; Dijkstra; Organic Mass Spectrometry; vol. 3; (1970); p. 379,381, View in Reaxys

Further information

Sakurai; Journal of Organic Chemistry; vol. 35; (1970); p. 2808, View in Reaxys

Further information

Csueroes et al.; Acta Chimica Academiae Scientiarum Hungaricae; vol. 60; (1969); p. 177, View in Reaxys

Further information

Viani et al.; Helvetica Chimica Acta; vol. 52; (1969); p. 887,888, View in Reaxys

Further information

Gramstad; Sandstroem; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 25; (1969); p. 31,33, View in Reaxys

Further information

Wallach; Journal of Physical Chemistry; vol. 73; (1969); p. 307, View in Reaxys

Further information

Fraser et al.; Canadian Journal of Chemistry; vol. 47; (1969); p. 2767, View in Reaxys

Further information

Csuroes et al.; Acta Chimica Academiae Scientiarum Hungaricae; vol. 59; (1969); p. 119, View in Reaxys

Further information

Davies; Williams; Transactions of the Faraday Society; vol. 64; (1968); p. 529,543, View in Reaxys

Further information

Shorygin et al.; Russian Journal of Physical Chemistry; vol. 42; (1968); p. 832,834; ; p. 1584, View in Reaxys

Further information

Yukhnovskii; Theoretical and Experimental Chemistry; vol. 3; (1967); p. 232; ; p. 410, View in Reaxys

Further information

Berenfel'd; Kronganz; Theoretical and Experimental Chemistry; vol. 3; (1967); p. 63; ; p. 117, View in Reaxys

Further information

Zaitsev; Organic Reactivity (New York, English Translation); vol. 4; (1967); p. 145,146, View in Reaxys

Further information

Pignataro et al.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 49; (1966); p. 291, View in Reaxys

Further information

Brownlee et al.; Journal of the American Chemical Society; vol. 88; (1966); p. 1413,1415, 1416, View in Reaxys

Further information

Feytmans-de Medicis; Bruylants; Bulletin des Societes Chimiques Belges; vol. 75; (1966); p. 691,697, 699, View in Reaxys

Further information

Zhdanov; Doklady Chemistry; vol. 162; (1965); p. 603,604; Doklady Akademii Nauk SSSR; vol. 162; (1965); p. 1314, View in Reaxys

Further information

Berenfel'd; Krongauz; Doklady Chemistry; vol. 162; (1965); p. 589,590; Doklady Akademii Nauk SSSR; vol.

162; (1965); p. 1303, View in Reaxys

Further information

Purrello; Gazzetta Chimica Italiana; vol. 95; (1965); p. 1089,1094, 1095, View in Reaxys

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Further information

Markov et al.; Chemische Berichte; vol. 97; (1964); p. 2987,2995, View in Reaxys

Further information

Wahlroos; Saarivirta; Acta Chemica Scandinavica (1947-1973); vol. 18; (1964); p. 2191, View in Reaxys

Further information

Schwetlick et al.; Journal fuer Praktische Chemie (Leipzig); vol. 22; (1963); p. 113,119, View in Reaxys

Further information

Gordon; Griffin; Chemistry and Industry (London, United Kingdom); (1962); p. 1019, View in Reaxys

Further information

Hidalgo; Adv. Mol. Spectrosc., Proc. Int. Meet., 4th; vol. 2; (1962); p. 801, View in Reaxys

Further information

Horner; Guesten; Justus Liebigs Annalen der Chemie; vol. 652; (1962); p. 99,107, View in Reaxys

Further information

Francois; Bulletin de la Societe Chimique de France; (1962); p. 511, View in Reaxys

Heat Capacity Cp (1) Heat Capacity Cp Temperature [Jmol-1K-1] (Heat Capacity Cp) [°C] 168.696

25

Ionization Potential (2) Ionization Poten- Method (Ionizatial [eV] tion Potential) 9.03

spectrographical

References

Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys References Dolomatov, M. Yu.; Mukaeva, G. R.; Journal of Applied Spectroscopy; vol. 56; nb. 4; (1992); p. 344 - 347; Zhurnal Prikladnoi Spektroskopii; vol. 56; nb. 4; (1992); p. 570 - 574, View in Reaxys Buchs; Helvetica Chimica Acta; vol. 53; (1970); p. 2026, View in Reaxys; Pignataro et al.; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 49; (1966); p. 291, View in Reaxys

Liquid Phase (1) Description (Liquid Phase)

References

Self-association in Lu; Kong, Rita; Chan; Journal of Chemical Physics; vol. 110; nb. 2-12; (1999); p. 3003 - 3008, solution View in Reaxys Liquid/Liquid Systems (MCS) (10) 1 of 10

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Partner (Liquid/Liquid Systems (MCS))

poly(vinyl chloride); water

Chen, Zhi; Weber, Stephen G.; Analytical Chemistry; vol. 79; nb. 3; (2007); p. 1043 - 1049, View in Reaxys 2 of 10

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Partner (Liquid/Liquid Systems (MCS))

2-nitrophenyl octyl ether

Liu, Xiangli; Bouchard, Geraldine; Mueller, Nathalie; Galland, Alexandra; Girault, Hubert; Testa, Bernard; Carrupt, Pierre-Alain; Helvetica Chimica Acta; vol. 86; nb. 11; (2003); p. 3533 - 3547, View in Reaxys 3 of 10

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Comment (Liquid/Liquid Systems (MCS))

equation

Partner (Liquid/Liquid Systems (MCS))

chloroform

Abraham, Michael H.; Platts, James A.; Hersey, Anne; Leo, Albert J.; Taft, Robert W.; Journal of Pharmaceutical Sciences; vol. 88; nb. 7; (1999); p. 670 - 679, View in Reaxys

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4 of 10

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Solvent (Liquid/Liquid Systems (MCS))

gas

Temperature (Liquid/Liq- 39.2 uid Systems (MCS)) [°C] Partner (Liquid/Liquid Systems (MCS))

apolane

Weckwerth, Jeff D.; Carr, Peter W.; Vitha, Mark F.; Nasehzadeh, Asad; Analytical Chemistry; vol. 70; nb. 17; (1998); p. 3712 - 3716, View in Reaxys 5 of 10

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Solvent (Liquid/Liquid Systems (MCS))

H2O

Partner (Liquid/Liquid Systems (MCS))

1,2-DICHLOROETHANE

Steyaert, Guillaume; Lisa, Guiseppe; Gaillard, Patrick; Boss, Gilles; Reymond, Frederic; Girault, Hubert H.; Carrupt, Pierre-Alain; Testa, Bernard; Journal of the Chemical Society - Faraday Transactions; vol. 93; nb. 3; (1997); p. 401 - 406, View in Reaxys 6 of 10

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Partner (Liquid/Liquid Systems (MCS))

dibutyl ether; H2O

Pagliara, Alessandra; Caron, Giulia; Lisa, Giuseppe; Fan, Weizheng; Gaillard, Patrick; Carrupt, Pierre-Alain; Testa, Bernard; Abraham, Michael H.; Journal of the Chemical Society. Perkin Transactions 2; nb. 12; (1997); p.

2639 - 2643, View in Reaxys 7 of 10

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Solvent (Liquid/Liquid Systems (MCS))

H2O

Partner (Liquid/Liquid Systems (MCS))

1-Octanol

Kamlet, Mortimer J.; Doherty, Ruth M.; Abraham, Michael H.; Marcus, Yizhak; Taft, Robert W.; Journal of Physical Chemistry; vol. 92; nb. 18; (1988); p. 5244 - 5255, View in Reaxys 8 of 10

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Hansch et al.; Journal of Organic Chemistry; vol. 37; (1972); p. 3090, View in Reaxys 9 of 10

Description (Liquid/Liquid Systems (MCS))

Critical solution temperature

Fischer et al.; Pharmazeutische Zentralhalle; vol. 105; (1966); p. 73,74, View in Reaxys 10 of 10

Description (Liquid/Liquid Systems (MCS))

Solution equilibrium

Partner (Liquid/Liquid Systems (MCS))

n-heptane; heptane

Francis; Journal of Physical Chemistry; vol. 58; (1954); p. 1099,1104, View in Reaxys Liquid/Solid Systems (MCS) (1) 1 of 1

Description (Liquid/Solid Solidification diagram Systems (MCS)) Comment (Liquid/Solid Systems (MCS))

(Verbindung 1:2).

Partner (Liquid/Solid Systems (MCS))

dinitrogen tetraoxide

Addison; Sheldon; Journal of the Chemical Society; (1956); p. 1941,1945, View in Reaxys

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Liquid/Vapour Systems (MCS) (5) 1 of 5

Description (Liquid/Vapour Systems (MCS))

Boiling point diagram

Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p.

127,128,129,132-135, View in Reaxys 2 of 5

Description (Liquid/Vapour Systems (MCS))

Vapour pressure diagram for the mixture

Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p.

127,128,129,132-135, View in Reaxys 3 of 5

Description (Liquid/Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Monfort et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 67; (1970); p. 748,749-753, View in Reaxys 4 of 5

Description (Liquid/Vapour Systems (MCS))

Vapour pressure diagram for the mixture

Temperature (Liquid/Va- 0 pour Systems (MCS)) [°C] Comment (Liquid/Vapour Systems (MCS))

(Assoziation).

Partner (Liquid/Vapour Systems (MCS))

dinitrogen tetraoxide

Addison; Sheldon; Journal of the Chemical Society; (1957); p. 1937,1940, View in Reaxys 5 of 5

Description (Liquid/Vapour Systems (MCS))

Critical data for mixtures

Solvent (Liquid/Vapour Systems (MCS))

ethane-1,2-diol

Fischer; Neupauer; Mikrochemie; vol. 34; (1949); p. 319,322, View in Reaxys Magnetic Susceptibility (2) Magnetic SusReferences ceptibility [10-6cm3mol-1] Francois; Bulletin de la Societe Chimique de France; (1962); p. 511, View in Reaxys -76.9

French; Transactions of the Faraday Society; vol. 50; (1954); p. 1320,1321, View in Reaxys

Mechanical & Physical Properties (MCS) (9) 1 of 9

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))

benzene

Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p.

815 - 820, View in Reaxys 2 of 9

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))

toluene

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Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p.

815 - 820, View in Reaxys 3 of 9

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))

o-xylene

Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p.

815 - 820, View in Reaxys 4 of 9

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))

m-xylene

Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p.

815 - 820, View in Reaxys 5 of 9

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))

para-xylene

Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p.

815 - 820, View in Reaxys 6 of 9

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))

ethylbenzene

Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p.

815 - 820, View in Reaxys 7 of 9

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Temperature (Mechani- 25 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))

styrene

Haijun, Wang; Mingzhi, Chen; Guokang, Zheng; Journal of Chemical Thermodynamics; vol. 27; nb. 7; (1995); p.

815 - 820, View in Reaxys

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8 of 9

Description (Mechanical & Physical Properties (MCS))

Partial molal volume

Temperature (Mechani- 298.2 - 313.2 cal & Physical Properties (MCS)) [°C] Partner (Mechanical & Physical Properties (MCS))

Bromoform

Joshi, Shrikant S.; Aminabhavi, Tejraj M.; Shukla, Shyam S.; Canadian Journal of Chemistry; vol. 68; (1990); p.

251 - 257, View in Reaxys 9 of 9

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p.

127,128,129,132-135, View in Reaxys Mechanical Properties (2) Description (MeReferences chanical Properties) Mechanical properties given

Syeda, Asra Banu; Koppula, Amara Jyothi; Boodida, Sathyanarayana; Nallani, Satyanarayana; Journal of Chemical and Engineering Data; vol. 55; nb. 3; (2010); p. 1405 - 1410, View in Reaxys

Viscosity

Wright; Journal of Chemical and Engineering Data; vol. 6; (1961); p. 454, View in Reaxys; del Rosario; Lind; Journal of Physical Chemistry; vol. 70; (1966); p. 2876,2877 - 2879, View in Reaxys

Optics (3) Description (Optics) Electric birefringence (Kerr effect)

References Camail et al.; Journal of Physical Chemistry; vol. 79; (1975); p. 1962,1963-1965, View in Reaxys; Le Fevre et al.; Journal of the Chemical Society; (1965); p. 3619,3621, View in Reaxys; Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem. USSR (Engl. Transl.); vol. 58; nb.

2; (1988); p. 457 - 462,398 - 401, View in Reaxys

Degree of depola- Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem. rization of RayUSSR (Engl. Transl.); vol. 58; nb. 2; (1988); p. 457 - 462,398 - 401, View in Reaxys leigh scattering Magnetic birefringence (CottonMouton effect)

Cotton; Mouton; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 215, View in Reaxys

Other Thermochemical Data (5) Description (Other Comment (Other Thermochemical Thermochemical Data) Data)

References

Entropy

Bartmess et al.; Journal of the American Chemical Society; vol. 101; (1979); p.

6046,6049,6053, View in Reaxys

Enthalpy

Bartmess et al.; Journal of the American Chemical Society; vol. 101; (1979); p.

6046,6049,6053, View in Reaxys

Thermodynamic properties

Bartmess et al.; Journal of the American Chemical Society; vol. 101; (1979); p.

6046,6049,6053, View in Reaxys

Cryoscopic constant

Witschonke; Analytical Chemistry; vol. 26; (1954); p. 562, View in Reaxys

Heat of combustion at constant volume

1023 kcal/Mol.

Berthelot; Petit; Annales de Chimie (Cachan, France); vol. <6>18; (1889); p. 112, View in Reaxys

Partition octan-1-ol/water (MCS) (2) 1 of 2

log POW

1.6

Temperature (Partition octan-1-ol/water (MCS)) [°C]

25

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Chen, Zhi; Weber, Stephen G.; Analytical Chemistry; vol. 79; nb. 3; (2007); p. 1043 - 1049, View in Reaxys 2 of 2

log POW

1.6

Van Stee; Leonards; Van Loon; Jan Hendriks; Struijs; Brinkman; Maas; Water Research; vol. 36; nb. 18; (2002); p. 4455 - 4470, View in Reaxys Self-diffusion (1) References Wasylishen; Pettitt; Canadian Journal of Chemistry; vol. 57; (1979); p. 1274,1276,1277, View in Reaxys Solubility (MCS) (1) 1 of 1

Solvent (Solubility (MCS))

carbon dioxide

Comment (Solubility (MCS))

Solubility: 1.3E1 weight-percent

Francis, A. W.; Journal of Physical Chemistry; vol. 58; (1954); p. 1099 - 1114, View in Reaxys; vol. C: MVol.C1; 215, page 548 - 568 ; (from Gmelin), View in Reaxys Solution Behaviour (MCS) (6) 1 of 6

Description (Solution Be- Mutual solubility haviour (MCS)) Temperature (Solution Behaviour (MCS)) [°C]

0 - 90

Partner (Solution Behav- water iour (MCS)) Stephenson; Journal of Chemical and Engineering Data; vol. 39; nb. 2; (1994); p. 225 - 227, View in Reaxys 2 of 6

Description (Solution Be- Solubilizing haviour (MCS)) Solvent (Solution Behav- H2O iour (MCS)) Partner (Solution Behav- cycloheptaamylose iour (MCS)) Geresh, Shimona; Giron, Yakir; Gilboa, Ygal; Glaser, Robert; Tetrahedron; vol. 49; nb. 44; (1993); p. 10099 - 10102, View in Reaxys

3 of 6

Description (Solution Be- Miscibility haviour (MCS)) Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p.

127,128,129,132-135, View in Reaxys

4 of 6

Description (Solution Be- Dissolving capacity haviour (MCS)) Temperature (Solution Behaviour (MCS)) [°C]

25

Partner (Solution Behav- carbon dioxide; CO iour (MCS)) Gjaldbaek et al.; Acta Chemica Scandinavica (1947-1973); vol. 8; (1954); p. 1398,1400, View in Reaxys 5 of 6

Description (Solution Be- Mutual solubility haviour (MCS)) Partner (Solution Behav- liquid CO2 iour (MCS)) Francis; Journal of Physical Chemistry; vol. 58; (1954); p. 1099,1104, View in Reaxys

6 of 6

Description (Solution Be- Dissolving capacity haviour (MCS)) Temperature (Solution Behaviour (MCS)) [°C]

18

Partner (Solution Behav- silver nitrate iour (MCS))

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Koch; Journal of the Chemical Society; (1928); p. 272, View in Reaxys Static Dielectric Constant (5) Static Dielectric Temperature Constant (Static Dielectric Constant) [°C] 18.7

27

References

Grimm; Patrick; Journal of the American Chemical Society; vol. 45; (1923); p. 2799, View in Reaxys; Schmid, R.; Journal of Solution Chemistry; vol. 12; nb. 2; (1983); p. 135 - 152, View in Reaxys Decroocq; Bulletin de la Societe Chimique de France; (1964); p. 127,133, View in Reaxys

19.1

20

Moll; Koll. Beih.; vol. 49; (1939); p. 1,7, View in Reaxys

15

18

Koch; Journal of the Chemical Society; (1928); p. 272, View in Reaxys

8.5

233.5

Grimm; Patrick; Journal of the American Chemical Society; vol. 45; (1923); p. 2799, View in Reaxys

Surface Tension (3) Surface Tension Temperature References [g·s-2] (Surface Tension) [°C] 34.51 - 42.15

19.5 - 86.3

Jeffery; Vogel; Journal of the Chemical Society; (1948); p. 663, View in Reaxys

42.3

20

Moll; Koll. Beih.; vol. 49; (1939); p. 1,7, View in Reaxys

36.75 - 41.4

20 - 60

Turner; Merry; Journal of the Chemical Society; vol. 97; (1910); p. 2076, View in Reaxys; Morgan; Owen; Journal of the American Chemical Society; vol. 33; (1911); p. 1717, View in Reaxys

Transport Phenomena (MCS) (3) 1 of 3

Description (Transport Phenomena (MCS))

Diffusion

Temperature (Transport 25.05 Phenomena (MCS)) [°C] Partner (Transport Phenomena (MCS))

methanol

Lu; Kong, Rita; Chan; Journal of Chemical Physics; vol. 110; nb. 2-12; (1999); p. 3003 - 3008, View in Reaxys 2 of 3

Description (Transport Phenomena (MCS))

Viscosity

Temperature (Transport 298.2 - 313.2 Phenomena (MCS)) [°C] Partner (Transport Phenomena (MCS))

Bromoform

Joshi, Shrikant S.; Aminabhavi, Tejraj M.; Shukla, Shyam S.; Canadian Journal of Chemistry; vol. 68; (1990); p.

251 - 257, View in Reaxys 3 of 3

Description (Transport Phenomena (MCS))

Viscosity

Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p.

127,128,129,132-135, View in Reaxys Vapour Pressure (1) Vapour Pressure Temperature (Va- References [Torr] pour Pressure) [°C] 0.023139 0.783063

10.05 - 55.05

Verevkin, Sergey P.; Journal of Chemical Thermodynamics; vol. 32; nb. 2; (2000); p. 207 - 215, View in Reaxys

NMR Spectroscopy (76) 1 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

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Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Location

supporting information

Rai, Ankita; Yadav, Lal Dhar S.; European Journal of Organic Chemistry; nb. 10; (2013); p. 1889 - 1893, View in Reaxys; Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning; Angewandte Chemie - International Edition; vol. 52; nb. 26; (2013); p. 6677 - 6680; Angew. Chem.; vol. 125; nb. 26; (2013); p. 6809 - 6612,4, View in Reaxys; Dev, Dharm; Palakurthy, Nani Babu; Kumar, Nitesh; Mandal, Bhubaneswar; Tetrahedron Letters; vol. 54; nb. 33; (2013); p. 4397 - 4400, View in Reaxys; Zou, Tao; Yu, Xiaoqiang; Feng, Xiujuan; Bao, Ming; Chemical Communications; vol. 51; nb. 53; (2015); p. 10714 - 10717, View in Reaxys; Nambo, Masakazu; Yar, Muhammad; Smith, Joel D.; Crudden, Cathleen M.; Organic Letters; vol. 17; nb. 1; (2015); p. 50 - 53, View in Reaxys 2 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning; Angewandte Chemie - International Edition; vol. 52; nb. 26; (2013); p. 6677 - 6680; Angew. Chem.; vol. 125; nb. 26; (2013); p. 6809 - 6612,4, View in Reaxys; Dev, Dharm; Palakurthy, Nani Babu; Kumar, Nitesh; Mandal, Bhubaneswar; Tetrahedron Letters; vol. 54; nb. 33; (2013); p. 4397 - 4400, View in Reaxys; Zou, Tao; Yu, Xiaoqiang; Feng, Xiujuan; Bao, Ming; Chemical Communications; vol. 51; nb. 53; (2015); p. 10714 - 10717, View in Reaxys; Nambo, Masakazu; Yar, Muhammad; Smith, Joel D.; Crudden, Cathleen M.; Organic Letters; vol. 17; nb. 1; (2015); p. 50 - 53, View in Reaxys 3 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

500

Location

supporting information

Tang, Hai-Tao; Zhou, Yun-Bing; Zhu, Yu; Sun, Hong-Chao; Lin, Min; Zhan, Zhuang-Ping; Chemistry - An Asian Journal; vol. 9; nb. 5; (2014); p. 1278 - 1281, View in Reaxys; Keita, Massaba; Vandamme, Mathilde; Paquin, JeanFranois; Synthesis (Germany); vol. 47; nb. 23; (2015); p. 3758 - 3766; Art.No: SS-2015-M0394-OP, View in Reaxys 4 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Location

supporting information

Mirjafari, Arsalan; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Tetrahedron Letters; vol. 51; nb. 25; (2010); p. 3274 - 3276, View in Reaxys; Noei, Jalil; Mirjafari, Arsalan; Tetrahedron Letters; vol. 55; nb. 32; (2014); p. 4424 - 4426, View in Reaxys 5 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

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Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

75

Location

supporting information

Mirjafari, Arsalan; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Tetrahedron Letters; vol. 51; nb. 25; (2010); p. 3274 - 3276, View in Reaxys; Noei, Jalil; Mirjafari, Arsalan; Tetrahedron Letters; vol. 55; nb. 32; (2014); p. 4424 - 4426, View in Reaxys 6 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Zhu, Jintao; Song, Guangwei; Yao, Guoxin; Chen, Gang; Synthetic Communications; vol. 42; nb. 13; (2012); p.

1934 - 1940, View in Reaxys; Shimojo, Hiroyuki; Moriyama, Katsuhiko; Togo, Hideo; Synthesis (Germany); vol.

45; nb. 15; (2013); p. 2155 - 2164; Art.No: SS-2013-F0311-OP, View in Reaxys; Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S.; RSC Advances; vol. 4; nb. 8; (2014); p. 4181 - 4186, View in Reaxys 7 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Shimojo, Hiroyuki; Moriyama, Katsuhiko; Togo, Hideo; Synthesis (Germany); vol. 45; nb. 15; (2013); p. 2155 2164; Art.No: SS-2013-F0311-OP, View in Reaxys; Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S.; RSC Advances; vol. 4; nb. 8; (2014); p. 4181 - 4186, View in Reaxys 8 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

125

Location

supporting information

Tang, Hai-Tao; Zhou, Yun-Bing; Zhu, Yu; Sun, Hong-Chao; Lin, Min; Zhan, Zhuang-Ping; Chemistry - An Asian Journal; vol. 9; nb. 5; (2014); p. 1278 - 1281, View in Reaxys 9 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

25

Frequency (NMR Spectroscopy) [MHz]

500

Location

supporting information

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Lakshman, Mahesh K.; Singh, Manish K.; Kumar, Mukesh; Chamala, Raghu Ram; Yedulla, Vijayender R.; Wagner, Domenick; Leung, Evan; Yang, Lijia; Matin, Asha; Ahmad, Sadia; Beilstein Journal of Organic Chemistry; vol. 10; (2014); p. 1919 - 1932, View in Reaxys 10 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

25

Frequency (NMR Spectroscopy) [MHz]

125

Location

supporting information

Lakshman, Mahesh K.; Singh, Manish K.; Kumar, Mukesh; Chamala, Raghu Ram; Yedulla, Vijayender R.; Wagner, Domenick; Leung, Evan; Yang, Lijia; Matin, Asha; Ahmad, Sadia; Beilstein Journal of Organic Chemistry; vol. 10; (2014); p. 1919 - 1932, View in Reaxys 11 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

26.84

Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Dighe, Shashikant U.; Chowdhury, Deepan; Batra, Sanjay; Advanced Synthesis and Catalysis; vol. 356; nb. 18; (2014); p. 3892 - 3896, View in Reaxys 12 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

26.84

Frequency (NMR Spectroscopy) [MHz]

100

Location

supporting information

Dighe, Shashikant U.; Chowdhury, Deepan; Batra, Sanjay; Advanced Synthesis and Catalysis; vol. 356; nb. 18; (2014); p. 3892 - 3896, View in Reaxys 13 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- water scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

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Matthessen, Roman; Claes, Laurens; Fransaer, Jan; Binnemans, Koen; De Vos, Dirk E.; European Journal of Organic Chemistry; vol. 2014; nb. 30; (2014); p. 6649 - 6652, View in Reaxys 14 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- water scopy) Frequency (NMR Spectroscopy) [MHz]

75

Location

supporting information

Matthessen, Roman; Claes, Laurens; Fransaer, Jan; Binnemans, Koen; De Vos, Dirk E.; European Journal of Organic Chemistry; vol. 2014; nb. 30; (2014); p. 6649 - 6652, View in Reaxys 15 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Location

supporting information

Zhu, Chenjie; Ji, Lei; Wei, Yunyang; Synthesis; nb. 18; (2010); p. 3121 - 3125, View in Reaxys; Zhu, Chenjie; Sun, Chengguo; Wei, Yunyang; Synthesis; nb. 24; (2010); p. 4235 - 4241; Art.No: F14610SS, View in Reaxys; Patil, Umakant B.; Shendage, Suresh S.; Nagarkar, Jayashree M.; Synthesis (Germany); vol. 45; nb. 23; (2013); p. 3295 - 3299, View in Reaxys 16 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Ren, Yunlai; Yan, Mengjie; Zhao, Shuang; Sun, Yanpei; Wang, Jianji; Yin, Weiping; Liu, Zhifei; Tetrahedron Letters; vol. 52; nb. 39; (2011); p. 5107 - 5109, View in Reaxys; Rai, Ankita; Yadav, Lal Dhar S.; European Journal of Organic Chemistry; nb. 10; (2013); p. 1889 - 1893, View in Reaxys 17 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Jadhav, Ravindra R.; Akamanchi, Krishnacharya G.; Chemistry Letters; vol. 42; nb. 2; (2013); p. 162 - 164, View in Reaxys 18 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

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Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

200.1

Enthaler, Stephan; Inoue, Shigeyoshi; Chemistry - An Asian Journal; vol. 7; nb. 1; (2012); p. 169 - 175, View in Reaxys 19 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

50.3

Enthaler, Stephan; Inoue, Shigeyoshi; Chemistry - An Asian Journal; vol. 7; nb. 1; (2012); p. 169 - 175, View in Reaxys 20 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

25

Frequency (NMR Spectroscopy) [MHz]

200

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 21 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

25

Frequency (NMR Spectroscopy) [MHz]

50.3

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 22 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Sugimoto, Osamu; Harada, Yukihiro; Tanji, Ken-Ichi; Heterocycles; vol. 86; nb. 2; (2012); p. 1583 - 1590, View in Reaxys 23 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H

Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

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Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

19.84

Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei; Angewandte Chemie - International Edition; vol. 50; nb.

19; (2011); p. 4470 - 4474, View in Reaxys 24 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

19.84

Frequency (NMR Spectroscopy) [MHz]

100

Location

supporting information

Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei; Angewandte Chemie - International Edition; vol. 50; nb.

19; (2011); p. 4470 - 4474, View in Reaxys 25 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

200

Location

supporting information

Enthaler, Stephan; Chemistry - A European Journal; vol. 17; nb. 34; (2011); p. 9316 - 9319, View in Reaxys 26 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

50

Location

supporting information

Enthaler, Stephan; Chemistry - A European Journal; vol. 17; nb. 34; (2011); p. 9316 - 9319, View in Reaxys 27 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

60

Deshmukh, Swapnil S.; Huddar, Sameerana N.; Bhalerao, Dinesh S.; Akamanchi, Krishnacharya G.; Arkivoc; vol. 2010; nb. 2; (2010); p. 118 - 126, View in Reaxys; Deshmukh, Swapnil S.; Huddar, Sameerana N.; Jadhav,

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Ravindra R.; Akamanchi, Krishnacharya G.; Tetrahedron Letters; vol. 52; nb. 35; (2011); p. 4533 - 4536, View in Reaxys 28 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Location

supporting information

Ren, Yunlai; Yan, Mengjie; Zhao, Shuang; Sun, Yanpei; Wang, Jianji; Yin, Weiping; Liu, Zhifei; Tetrahedron Letters; vol. 52; nb. 39; (2011); p. 5107 - 5109, View in Reaxys 29 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

200.1

Location

supporting information

Enthaler, Stephan; European Journal of Organic Chemistry; nb. 25; (2011); p. 4760 - 4763, View in Reaxys 30 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

50.3

Location

supporting information

Enthaler, Stephan; European Journal of Organic Chemistry; nb. 25; (2011); p. 4760 - 4763, View in Reaxys 31 of 76

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Temperature (NMR Spectroscopy) [°C]

23.94

Frequency (NMR Spectroscopy) [MHz]

500.1

Location

supporting information

Ji, Pengju; Powles, Nicholas T.; Atherton, John H.; Page, Michael I.; Organic Letters; vol. 13; nb. 22; (2011); p.

6118 - 6121, View in Reaxys 32 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Temperature (NMR Spectroscopy) [°C]

25.24

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Frequency (NMR Spectroscopy) [MHz]

125.8

Location

supporting information

Ji, Pengju; Powles, Nicholas T.; Atherton, John H.; Page, Michael I.; Organic Letters; vol. 13; nb. 22; (2011); p.

6118 - 6121, View in Reaxys 33 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

200

Enthaler, Stephan; Weidauer, Maik; Catalysis Letters; vol. 141; nb. 8; (2011); p. 1079 - 1085, View in Reaxys 34 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

50

Enthaler, Stephan; Weidauer, Maik; Catalysis Letters; vol. 141; nb. 8; (2011); p. 1079 - 1085, View in Reaxys 35 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

500

Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiolah; Mirjafari, Arsalan; Comptes Rendus Chimie; vol. 13; nb. 12; (2010); p. 1468 - 1473, View in Reaxys 36 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

125

Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiolah; Mirjafari, Arsalan; Comptes Rendus Chimie; vol. 13; nb. 12; (2010); p. 1468 - 1473, View in Reaxys 37 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

500

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Drouet, Fleur; Fontaine, Patrice; Masson, Geraldine; Zhu, Jieping; Synthesis; nb. 8; (2009); p. 1370 - 1374; Art.No: T19708SS, View in Reaxys 38 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

75

Drouet, Fleur; Fontaine, Patrice; Masson, Geraldine; Zhu, Jieping; Synthesis; nb. 8; (2009); p. 1370 - 1374; Art.No: T19708SS, View in Reaxys 39 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300.1

Location

supporting information

Zhou, Shaolin; Junge, Kathrin; Addis, Daniele; Das, Shoubhik; Beller, Matthias; Organic Letters; vol. 11; nb. 11; (2009); p. 2461 - 2464, View in Reaxys; Zhou, Shaolin; Addis, Daniele; Das, Shoubhik; Junge, Kathrin; Beller, Matthias; Chemical Communications; nb. 32; (2009); p. 4883 - 4885, View in Reaxys 40 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

75.5

Location

supporting information

Zhou, Shaolin; Junge, Kathrin; Addis, Daniele; Das, Shoubhik; Beller, Matthias; Organic Letters; vol. 11; nb. 11; (2009); p. 2461 - 2464, View in Reaxys; Zhou, Shaolin; Addis, Daniele; Das, Shoubhik; Junge, Kathrin; Beller, Matthias; Chemical Communications; nb. 32; (2009); p. 4883 - 4885, View in Reaxys 41 of 76

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- d(4)-methanol scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

De Noronha, Rita G.; Romao, Carlos C.; Fernandes, Ana C.; Journal of Organic Chemistry; vol. 74; nb. 18; (2009); p. 6960 - 6964, View in Reaxys 42 of 76

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy)

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Bencivenni, Giorgio; Lanza, Tommaso; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Zanardi, Giuseppe; Journal of Organic Chemistry; vol. 73; nb. 12; (2008); p. 4721 - 4724, View in Reaxys 43 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Xie; Kato; Asano; Bioscience, biotechnology, and biochemistry; vol. 65; nb. 12; (2001); p. 2666 - 2672, View in Reaxys; Kangani, Cyrous O.; Day, Billy W.; Kelley, David E.; Tetrahedron Letters; vol. 49; nb. 5; (2008); p.

914 - 918, View in Reaxys; Bencivenni, Giorgio; Lanza, Tommaso; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Zanardi, Giuseppe; Journal of Organic Chemistry; vol. 73; nb. 12; (2008); p. 4721 - 4724, View in Reaxys 44 of 76

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Bencivenni, Giorgio; Lanza, Tommaso; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Zanardi, Giuseppe; Journal of Organic Chemistry; vol. 73; nb. 12; (2008); p. 4721 - 4724, View in Reaxys 45 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Xie; Kato; Asano; Bioscience, biotechnology, and biochemistry; vol. 65; nb. 12; (2001); p. 2666 - 2672, View in Reaxys; Kangani, Cyrous O.; Day, Billy W.; Kelley, David E.; Tetrahedron Letters; vol. 49; nb. 5; (2008); p.

914 - 918, View in Reaxys; Bencivenni, Giorgio; Lanza, Tommaso; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Zanardi, Giuseppe; Journal of Organic Chemistry; vol. 73; nb. 12; (2008); p. 4721 - 4724, View in Reaxys 46 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

200

Venkat Narsaiah; Nagaiah; Advanced Synthesis and Catalysis; vol. 346; nb. 11; (2004); p. 1271 - 1274, View in Reaxys; Makosza, Mieczyslaw; Chesnokov, Alexey; Tetrahedron; vol. 64; nb. 25; (2008); p. 5925 - 5932, View in Reaxys 47 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- chloroform-d1 scopy)

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Frequency (NMR Spectroscopy) [MHz]

396

Location

supporting information

Hanada, Shiori; Motoyama, Yukihiro; Nagashima, Hideo; European Journal of Organic Chemistry; nb. 24; (2008); p. 4097 - 4100, View in Reaxys 48 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

99.5

Location

supporting information

Hanada, Shiori; Motoyama, Yukihiro; Nagashima, Hideo; European Journal of Organic Chemistry; nb. 24; (2008); p. 4097 - 4100, View in Reaxys 49 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy) Hwu, Jih Ru; Tsay, Shwu-Chen; Tetrahedron; vol. 46; nb. 21; (1990); p. 7413 - 7428, View in Reaxys; Schumann, Hans; Speis, Martin; Bosman, W. P.; Smits, J. M. M.; Beurskens, Paul T.; Journal of Organometallic Chemistry; vol. 403; nb. 1.2; (1991); p. 165 - 182, View in Reaxys; Kitagawa; Kawaguchi; Ikiuchi; Chemical and Pharmaceutical Bulletin; vol. 39; nb. 1; (1991); p. 187 - 189, View in Reaxys; Tsay, Shwu-Chen; Gani, Paul; Hwu, Jih Ru; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 6; (1991); p. 1493 - 1495, View in Reaxys; Polivin, Yu. N.; Vinokurov, V. A.; Makarshin, S. V.; Karakhanov, R. A.; Silin, M. A.; Ageev, E. A.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 39; nb. 7.2; (1990); p. 1528 - 1530; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 7; (1990); p. 1682 - 1684, View in Reaxys; Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys; Jiricny, Josef; Orere, Daniel M.; Reese, Colin B.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1980); p. 1487 - 1492, View in Reaxys; Tamura, Yasumitsu; Choi, Hong Dae; Mizutani, Masako; Ueda, Yuko; Ishibashi, Hiroyuki; Chemical and Pharmaceutical Bulletin; vol. 30; nb. 10; (1982); p. 3574 - 3579, View in Reaxys; Sugimoto, Osamu; Mori, Miho; Moriya, Keisuke; Tanji, Ken-Ichi; Helvetica Chimica Acta; vol. 84; nb. 5; (2001); p. 1112 - 1118, View in Reaxys; Takahashi, Tatsuya; Sugimoto, Osamu; Koshio, Jiro; Tanji, Kenichi; Heterocycles; vol. 68; nb. 9; (2006); p. 1973 - 1979, View in Reaxys; Campbell, Jacqueline A.; McDougald, Graham; McNab, Hamish; Rees, Lovat V. C.; Tyas, Richard G.; Synthesis; nb. 20; (2007); p. 3179 - 3184, View in Reaxys 50 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Schumann, Hans; Speis, Martin; Bosman, W. P.; Smits, J. M. M.; Beurskens, Paul T.; Journal of Organometallic Chemistry; vol. 403; nb. 1.2; (1991); p. 165 - 182, View in Reaxys; Patra, Amarenda; Mukhopadhyay, Prabir K.; Journal of the Indian Chemical Society; vol. 60; (1983); p. 265 - 268, View in Reaxys; Campbell, Jacqueline A.; McDougald, Graham; McNab, Hamish; Rees, Lovat V. C.; Tyas, Richard G.; Synthesis; nb. 20; (2007); p. 3179 3184, View in Reaxys 51 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy)

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Frequency (NMR Spectroscopy) [MHz]

500

Fan, Qiu-Hua; Ni, Nan-Ting; Li, Qin; Zhang, Li-He; Ye, Xin-Shan; Organic Letters; vol. 8; nb. 5; (2006); p. 1007 1009, View in Reaxys 52 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

270

Masutani, Kouta; Minowa, Tomofumi; Hagiwara, Yoshiaki; Mukaiyama, Teruaki; Bulletin of the Chemical Society of Japan; vol. 79; nb. 7; (2006); p. 1106 - 1117, View in Reaxys 53 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

68

Masutani, Kouta; Minowa, Tomofumi; Hagiwara, Yoshiaki; Mukaiyama, Teruaki; Bulletin of the Chemical Society of Japan; vol. 79; nb. 7; (2006); p. 1106 - 1117, View in Reaxys 54 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

300

De Luca, Lidia; Giacomelli, Giampaolo; Synlett; nb. 12; (2004); p. 2180 - 2184, View in Reaxys 55 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

75.4

De Luca, Lidia; Giacomelli, Giampaolo; Synlett; nb. 12; (2004); p. 2180 - 2184, View in Reaxys 56 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Blay, Gonzalo; Cardona, Luz; Garcia, Begona; Lahoz, Luisa; Pedro, Jose R.; Tetrahedron; vol. 52; nb. 25; (1996); p. 8611 - 8618, View in Reaxys 57 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

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Blay, Gonzalo; Cardona, Luz; Garcia, Begona; Lahoz, Luisa; Pedro, Jose R.; Tetrahedron; vol. 52; nb. 25; (1996); p. 8611 - 8618, View in Reaxys 58 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide scopy) Temperature (NMR Spectroscopy) [°C]

25

Abbotto, Alessandro; Bradamante, Silvia; Pagani, Giorgio A.; Journal of Organic Chemistry; vol. 58; nb. 2; (1993); p. 449 - 455, View in Reaxys 59 of 76

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide scopy) Temperature (NMR Spectroscopy) [°C]

25

Comment (NMR Spectroscopy)

1H-13C.

Abbotto, Alessandro; Bradamante, Silvia; Pagani, Giorgio A.; Journal of Organic Chemistry; vol. 58; nb. 2; (1993); p. 449 - 455, View in Reaxys 60 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- tetrahydrofuran scopy) Temperature (NMR Spectroscopy) [°C]

20

Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 61 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide scopy) Temperature (NMR Spectroscopy) [°C]

20

Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 62 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- tetrahydrofuran scopy) Crowley, Patrick J.; Leach, Mark R.; Meth-Cohn, Otto; Wakefield, Basil J; Tetrahedron Letters; vol. 27; nb. 25; (1986); p. 2909 - 2912, View in Reaxys 63 of 76

Description (NMR Spec- Chemical shifts troscopy)

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Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 64 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 65 of 76

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide scopy) Comment (NMR Spectroscopy)

1H-1H.

Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 66 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CCl4 scopy) Abramovitch, Rudolph A.; Kress, Albert O.; Pillay, Kutten S.; Thompson, W. Marshall; Journal of Organic Chemistry; vol. 50; nb. 12; (1985); p. 2066 - 2073, View in Reaxys 67 of 76

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of Organic Chemistry; vol. 45; nb. 1; (1980); p. 105 - 114, View in Reaxys 68 of 76

Description (NMR Spec- Spin-spin coupling constants troscopy) Wasylishen; Pettitt; Canadian Journal of Chemistry; vol. 57; (1979); p. 1274,1276,1277, View in Reaxys

69 of 76

Description (NMR Spec- Spin-lattice relaxation time (T1) troscopy) Wasylishen; Pettitt; Canadian Journal of Chemistry; vol. 57; (1979); p. 1274,1276,1277, View in Reaxys

70 of 76

Description (NMR Spec- NMR troscopy) Shvartsberg et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 25; (1976); p. 2138; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 25; (1976); p. 2292, View in Reaxys; Suzuki et al.; Synthesis; (1978); p. 905, View in Reaxys; Bradamante; Pagani; Journal of Organic Chemistry; vol. 44; (1979); p. 4735, View in Reaxys; Albagnac et al.; Bulletin de la Societe Chimique de France; (1974); p. 1469,1470, View in Reaxys; Suzuki et al.; Nippon Kagaku Kaishi; (1979); p. 91,92; Chem.Abstr.; nb. 56711; (1979), View in Reaxys; Heberhold; Brabetz; Chemische Berichte; vol. 103; (1970); p. 3896,3900, View in Reaxys; Glukhikh; Voronkov; Doklady Physical Chemistry; vol. 244-249; (1979); p. 744, View in Reaxys; Leusink et al.; Recueil des Travaux Chimiques des Pays-Bas; vol. 95; (1976); p. 123, View in Reaxys; Shapiro; Journal of Organic

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Chemistry; vol. 41; (1976); p. 3197, View in Reaxys; Belskii et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 26; (1977); p. 1076; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 26; (1977); p. 1169, View in Reaxys; Wasylishen; Pettitt; Canadian Journal of Chemistry; vol.

57; (1979); p. 1274,1276,1277, View in Reaxys; Mathieu; Bulletin de la Societe Chimique de France; (1971); p.

1540,1541, View in Reaxys; Daugherty et al.; Applied Spectroscopy; vol. 22; (1968); p. 784, View in Reaxys; Witanowski; Tetrahedron; vol. 23; (1967); p. 4299, View in Reaxys 71 of 76

Description (NMR Spec- NMR with shift reagents troscopy) Anderson; Norbury; Journal of the Chemical Society, Chemical Communications; (1975); p. 48, View in Reaxys

72 of 76

Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)

C-13 chem. shifts

Yonemoto; Journal of Magnetic Resonance (1969-1992); vol. 12; (1973); p. 93, View in Reaxys 73 of 76

Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)

N-14 chem. shifts

Yonemoto; Journal of Magnetic Resonance (1969-1992); vol. 12; (1973); p. 93, View in Reaxys 74 of 76

Description (NMR Spec- Spectrum troscopy) Fraser et al.; Canadian Journal of Chemistry; vol. 47; (1969); p. 2767, View in Reaxys

75 of 76

Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)

13C-NMR-Absorption, chemische Verschiebung(π-C, bezogen auf Benzol), Diskussion des Spektrums

Savitsky et al.; Journal of Physical Chemistry; vol. 69; (1965); p. 1425, View in Reaxys 76 of 76

Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)

in Cyclohexan

Takahashi et al.; Bulletin of the Chemical Society of Japan; vol. 36; (1963); p. 108, View in Reaxys IR Spectroscopy (53) 1 of 53

Description (IR Spectroscopy)

ATR (attenuated total reflectance); Bands

Solvent (IR Spectroscopy)

neat liquid

Temperature (IR Spectroscopy) [°C]

49.84

Bhosale, Ashvini; Yoshida, Hiroshi; Fujita, Shin-Ichiro; Arai, Masahiko; Green Chemistry; vol. 17; nb. 2; (2015); p. 1299 - 1307, View in Reaxys 2 of 53

Description (IR Spectroscopy)

ATR (attenuated total reflectance); Bands

Solvent (IR Spectroscopy)

water

Temperature (IR Spectroscopy) [°C]

49.84

Bhosale, Ashvini; Yoshida, Hiroshi; Fujita, Shin-Ichiro; Arai, Masahiko; Green Chemistry; vol. 17; nb. 2; (2015); p. 1299 - 1307, View in Reaxys 3 of 53

Description (IR Spectroscopy)

ATR (attenuated total reflectance); Bands

Solvent (IR Spectroscopy)

acetic acid

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Temperature (IR Spectroscopy) [°C]

49.84

Bhosale, Ashvini; Yoshida, Hiroshi; Fujita, Shin-Ichiro; Arai, Masahiko; Green Chemistry; vol. 17; nb. 2; (2015); p. 1299 - 1307, View in Reaxys 4 of 53

Description (IR Spectroscopy)

ATR (attenuated total reflectance)

Solvent (IR Spectroscopy)

ethanol

Temperature (IR Spectroscopy) [°C]

49.84

Bhosale, Ashvini; Yoshida, Hiroshi; Fujita, Shin-Ichiro; Arai, Masahiko; Green Chemistry; vol. 17; nb. 2; (2015); p. 1299 - 1307, View in Reaxys 5 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Location

supporting information

Mirjafari, Arsalan; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Tetrahedron Letters; vol. 51; nb. 25; (2010); p. 3274 - 3276, View in Reaxys; Zhu, Chenjie; Ji, Lei; Wei, Yunyang; Synthesis; nb. 18; (2010); p. 3121 - 3125, View in Reaxys; Zhu, Chenjie; Sun, Chengguo; Wei, Yunyang; Synthesis; nb. 24; (2010); p. 4235 - 4241; Art.No: F14610SS, View in Reaxys; Noei, Jalil; Mirjafari, Arsalan; Tetrahedron Letters; vol. 55; nb. 32; (2014); p. 4424 - 4426, View in Reaxys 6 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S.; RSC Advances; vol. 4; nb. 8; (2014); p. 4181 - 4186, View in Reaxys 7 of 53

Description (IR Spectroscopy)

Bands

Location

supporting information

Comment (IR Spectroscopy)

film

Tang, Hai-Tao; Zhou, Yun-Bing; Zhu, Yu; Sun, Hong-Chao; Lin, Min; Zhan, Zhuang-Ping; Chemistry - An Asian Journal; vol. 9; nb. 5; (2014); p. 1278 - 1281, View in Reaxys 8 of 53

Description (IR Spectroscopy)

Bands

Allerhand; Schleyer; Journal of the American Chemical Society; vol. 85; (1963); p. 866,868, View in Reaxys; Martin et al.; Journal fuer Praktische Chemie (Leipzig); vol. 312; (1970); p. 797,799, View in Reaxys; Suzuki et al.; Nippon Kagaku Kaishi; (1979); p. 91,92; Chem.Abstr.; nb. 56711; (1979), View in Reaxys; Fukunaga et al.; Nippon Kagaku Kaishi; (1977); p. 1379,1381; Chem.Abstr.; nb. 5818; (1978), View in Reaxys; Brutan; Fadeev; Sov. Phys. J. (Engl.

Transl.); vol. 21; nb. 8; (1978); p. 148,1102, View in Reaxys; Soltani Rad, Mohammad Navid; Khalafi-Nezhad, Ali; Behrouz, Somayeh; Faghihi, Mohammad Ali; Tetrahedron Letters; vol. 48; nb. 38; (2007); p. 6779 - 6784, View in Reaxys; Rad, Mohammad Navid Soltani; Khalafi-Nezhad, Ali; Behrouz, Somayeh; Amini, Zohreh; Behrouz, Marzieh; Synthetic Communications; vol. 40; nb. 16; (2010); p. 2429 - 2440, View in Reaxys; Dev, Dharm; Palakurthy, Nani Babu; Kumar, Nitesh; Mandal, Bhubaneswar; Tetrahedron Letters; vol. 54; nb. 33; (2013); p. 4397 - 4400, View in Reaxys 9 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, solid phase)

Jadhav, Ravindra R.; Akamanchi, Krishnacharya G.; Chemistry Letters; vol. 42; nb. 2; (2013); p. 162 - 164, View in Reaxys 10 of 53

Description (IR Spectroscopy)

Bands

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Solvent (IR Spectroscopy)

neat liquid

Location

supporting information

Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning; Angewandte Chemie - International Edition; vol. 52; nb. 26; (2013); p. 6677 - 6680; Angew. Chem.; vol. 125; nb. 26; (2013); p. 6809 - 6612,4, View in Reaxys 11 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat liquid

Shimojo, Hiroyuki; Moriyama, Katsuhiko; Togo, Hideo; Synthesis (Germany); vol. 45; nb. 15; (2013); p. 2155 2164; Art.No: SS-2013-F0311-OP, View in Reaxys 12 of 53

Description (IR Spectroscopy)

ATR-FTIR (attenuated total reflectance Fourier transform infrared spectroscopy); Bands

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 13 of 53

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

neat liquid

Deshmukh, Swapnil S.; Huddar, Sameerana N.; Bhalerao, Dinesh S.; Akamanchi, Krishnacharya G.; Arkivoc; vol. 2010; nb. 2; (2010); p. 118 - 126, View in Reaxys; Deshmukh, Swapnil S.; Huddar, Sameerana N.; Jadhav, Ravindra R.; Akamanchi, Krishnacharya G.; Tetrahedron Letters; vol. 52; nb. 35; (2011); p. 4533 - 4536, View in Reaxys 14 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

nujol

Malki, Fatiha; Touati, Abdelkader; Rahal, Said; Moulay, Saad; Asian Journal of Chemistry; vol. 23; nb. 3; (2011); p. 961 - 967, View in Reaxys 15 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiolah; Mirjafari, Arsalan; Comptes Rendus Chimie; vol. 13; nb. 12; (2010); p. 1468 - 1473, View in Reaxys 16 of 53

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

neat (no solvent)

Drouet, Fleur; Fontaine, Patrice; Masson, Geraldine; Zhu, Jieping; Synthesis; nb. 8; (2009); p. 1370 - 1374; Art.No: T19708SS, View in Reaxys 17 of 53

Description (IR Spectroscopy)

Mid IR (MIR); Bands

Location

supporting information

Comment (IR Spectroscopy)

neat liquid

Hanada, Shiori; Motoyama, Yukihiro; Nagashima, Hideo; European Journal of Organic Chemistry; nb. 24; (2008); p. 4097 - 4100, View in Reaxys 18 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

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Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Venkat Narsaiah; Nagaiah; Advanced Synthesis and Catalysis; vol. 346; nb. 11; (2004); p. 1271 - 1274, View in Reaxys; Masutani, Kouta; Minowa, Tomofumi; Hagiwara, Yoshiaki; Mukaiyama, Teruaki; Bulletin of the Chemical Society of Japan; vol. 79; nb. 7; (2006); p. 1106 - 1117, View in Reaxys 19 of 53

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

dimethylsulfoxide

Comment (IR Spectroscopy)

3089 - 1158 cm**(-1)

Binev, I. G.; Tsenov, J. A.; Velcheva, E. A.; Juchnovski, I. N.; Journal of Molecular Structure; vol. 344; (1995); p.

205 - 216, View in Reaxys 20 of 53

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

dimethylsulfoxide

Temperature (IR Spectroscopy) [°C]

26

Comment (IR Spectroscopy)

1800 - 1450 cm**(-1)

Corset, Jacques; Froment, Francoise; Lautie, Marie-France; Ratovelomanana, Nicole; Seyden-Penne, Jacqueline; et al.; Journal of the American Chemical Society; vol. 115; nb. 5; (1993); p. 1684 - 1694, View in Reaxys 21 of 53

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

various solvent(s)

Temperature (IR Spectroscopy) [°C]

26

Comment (IR Spectroscopy)

1800 - 1450 cm**(-1)

Corset, Jacques; Froment, Francoise; Lautie, Marie-France; Ratovelomanana, Nicole; Seyden-Penne, Jacqueline; et al.; Journal of the American Chemical Society; vol. 115; nb. 5; (1993); p. 1684 - 1694, View in Reaxys 22 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

dimethylsulfoxide

Temperature (IR Spectroscopy) [°C]

26

Comment (IR Spectroscopy)

1601 - 1455 cm**(-1)

Corset, Jacques; Froment, Francoise; Lautie, Marie-France; Ratovelomanana, Nicole; Seyden-Penne, Jacqueline; et al.; Journal of the American Chemical Society; vol. 115; nb. 5; (1993); p. 1684 - 1694, View in Reaxys 23 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

various solvent(s)

Temperature (IR Spectroscopy) [°C]

26

Comment (IR Spectroscopy)

1579 - 1484 cm**(-1)

Corset, Jacques; Froment, Francoise; Lautie, Marie-France; Ratovelomanana, Nicole; Seyden-Penne, Jacqueline; et al.; Journal of the American Chemical Society; vol. 115; nb. 5; (1993); p. 1684 - 1694, View in Reaxys

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24 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

2252 cm**(-1)

Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys 25 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

tetrahydrofuran

Comment (IR Spectroscopy)

2249 - 1417 cm**(-1)

Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 26 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

dimethylsulfoxide

Comment (IR Spectroscopy)

2248 - 1455 cm**(-1)

Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 27 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

2253 - 940 cm**(-1)

Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 28 of 53

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

3500 - 400 cm**(-1)

Todorovskii, A. T.; Plotkin, S. Ya.; Journal of Structural Chemistry; vol. 32; nb. 1; (1991); p. 55 - 58; Zhurnal Strukturnoi Khimii; vol. 32; nb. 1; (1991); p. 68 - 72, View in Reaxys 29 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

3049 - 693 cm**(-1)

Hwu, Jih Ru; Tsay, Shwu-Chen; Tetrahedron; vol. 46; nb. 21; (1990); p. 7413 - 7428, View in Reaxys; Tsay, ShwuChen; Gani, Paul; Hwu, Jih Ru; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 6; (1991); p. 1493 - 1495, View in Reaxys 30 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

1,2-dichloro-ethane

Comment (IR Spectroscopy)

2246 cm**(-1)

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Schumann, Hans; Speis, Martin; Bosman, W. P.; Smits, J. M. M.; Beurskens, Paul T.; Journal of Organometallic Chemistry; vol. 403; nb. 1.2; (1991); p. 165 - 182, View in Reaxys 31 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

2254 cm**(-1)

Kitagawa; Kawaguchi; Ikiuchi; Chemical and Pharmaceutical Bulletin; vol. 39; nb. 1; (1991); p. 187 - 189, View in Reaxys; Kitagawa; Kawaguchi; Inoue; Katayama; Chemical and Pharmaceutical Bulletin; vol. 39; nb. 11; (1991); p. 3030 - 3033, View in Reaxys 32 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

3100 - 1418 cm**(-1)

Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys 33 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

2251 cm**(-1)

Polivin, Yu. N.; Vinokurov, V. A.; Makarshin, S. V.; Karakhanov, R. A.; Silin, M. A.; Ageev, E. A.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 39; nb. 7.2; (1990); p.

1528 - 1530; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 7; (1990); p. 1682 - 1684, View in Reaxys 34 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

2255 cm**(-1)

Rao, C. Someswara; Rambabu, M.; Srinivasan, P. S.; Synthetic Communications; vol. 19; nb. 7,8; (1989); p. 1431 - 1436, View in Reaxys 35 of 53

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

2300 - 2200 cm**(-1)

Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem. USSR (Engl.

Transl.); vol. 58; nb. 2; (1988); p. 457 - 462,398 - 401, View in Reaxys 36 of 53

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

2300 - 2200 cm**(-1)

Strobykina, I. Yu.; Vul'fson, S. G.; Kataev, V. E.; Butenko, O. Yu.; Vereshchagin, A. N.; J. Gen. Chem. USSR (Engl.

Transl.); vol. 58; nb. 2; (1988); p. 457 - 462,398 - 401, View in Reaxys

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37 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

2230 cm**(-1)

Rao, C. Someswara; Rambabu, M.; Srinivasan, P. S.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 26; nb. 1-12; (1987); p. 407 - 411, View in Reaxys 38 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

2240 cm**(-1)

Liguori, Angelo; Sindona, Giovanni; Romeo, Giovanni; Uccella, Nicola; Synthesis; nb. 2; (1987); p. 168, View in Reaxys 39 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

2250 cm**(-1)

Abramovitch, Rudolph A.; Kress, Albert O.; Pillay, Kutten S.; Thompson, W. Marshall; Journal of Organic Chemistry; vol. 50; nb. 12; (1985); p. 2066 - 2073, View in Reaxys 40 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

2260 cm**(-1)

Tamura, Yasumitsu; Choi, Hong Dae; Mizutani, Masako; Ueda, Yuko; Ishibashi, Hiroyuki; Chemical and Pharmaceutical Bulletin; vol. 30; nb. 10; (1982); p. 3574 - 3579, View in Reaxys 41 of 53

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Temperature (IR Spectroscopy) [°C]

30

Comment (IR Spectroscopy)

2200 - 2300 cm**(-1)

Brutan, E. G.; Fadeev, Yu. A.; Russian Journal of Physical Chemistry; vol. 54; nb. 4; (1980); p. 586 - 587; Zhurnal Fizicheskoi Khimii; vol. 54; nb. 4; (1980); p. 1025 - 1027, View in Reaxys 42 of 53

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

gas

Temperature (IR Spectroscopy) [°C]

250

Comment (IR Spectroscopy)

2200 - 2300 cm**(-1)

Brutan, E. G.; Fadeev, Yu. A.; Russian Journal of Physical Chemistry; vol. 54; nb. 4; (1980); p. 586 - 587; Zhurnal Fizicheskoi Khimii; vol. 54; nb. 4; (1980); p. 1025 - 1027, View in Reaxys

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43 of 53

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid

Temperature (IR Spectroscopy) [°C]

-150

Comment (IR Spectroscopy)

2200 - 2300 cm**(-1)

Brutan, E. G.; Fadeev, Yu. A.; Russian Journal of Physical Chemistry; vol. 54; nb. 4; (1980); p. 586 - 587; Zhurnal Fizicheskoi Khimii; vol. 54; nb. 4; (1980); p. 1025 - 1027, View in Reaxys 44 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

2240 cm**(-1)

Tamura, Yasumitsu; Adachi, Masahiro; Kawasaki, Tomomi; Yasuda, Hitoshi; Kita, Yasuyuki; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1980); p. 1132 - 1135, View in Reaxys 45 of 53

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

2255 cm**(-1)

Jiricny, Josef; Orere, Daniel M.; Reese, Colin B.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1980); p. 1487 - 1492, View in Reaxys 46 of 53

Description (IR Spectroscopy)

IR

Brownlee,R.T.C. et al.; Journal of the American Chemical Society; vol. 90; nb. 7; (1968); p. 1757 - 1767, View in Reaxys; Kanaoka et al.; Chemical and Pharmaceutical Bulletin; vol. 18; (1970); p. 397,398, View in Reaxys; Ahmad; Synthesis; (1976); p. 418, View in Reaxys; Joeckle et al.; Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie; vol. 21; (1966); p. 1906,1909-1910, 1912-1913, View in Reaxys; Shvartsberg et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 25; (1976); p. 2138; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 25; (1976); p. 2292, View in Reaxys; Barakat et al.; Transactions of the Faraday Society; vol. 59; (1963); p. 1773, View in Reaxys; Suzuki et al.; Synthesis; (1978); p. 905, View in Reaxys; Pala; Bruzzese; Annali di Chimica (Rome, Italy); vol. 54; (1964); p. 349,361, View in Reaxys; Augdahl; Klaboe; Spectrochimica Acta; vol. 19; (1963); p. 1665,1669, View in Reaxys; Heberhold; Brabetz; Chemische Berichte; vol. 103; (1970); p. 3896,3900, View in Reaxys; Castro; Selve; Bulletin de la Societe Chimique de France; (1971); p. 2296, View in Reaxys; Chattopadhyay; Indian Journal of Physics (1926-1976); vol.

41; (1967); p. 759,764, View in Reaxys; Uson et al.; Journal of Organometallic Chemistry; vol. 179; (1979); p. 65,70, View in Reaxys; Binew et al.; Izvestiya na Otdelenieto za Khimicheski Nauki (Bulgarska Akademiya na Naukite); vol. 10; (1977); p. 76,79, View in Reaxys 47 of 53

Description (IR Spectroscopy)

Spectrum

Laurence; Wojtkowiak; Bulletin de la Societe Chimique de France; (1971); p. 3833,3834, View in Reaxys; Knizek et al.; Collection of Czechoslovak Chemical Communications; vol. 29; (1964); p. 2935,2939, View in Reaxys; Mannion; Wang; Spectrochimica Acta; vol. 20; (1964); p. 45,47, View in Reaxys 48 of 53

Description (IR Spectroscopy)

Intensity of IR bands

Brownlee et al.; Journal of Physical Chemistry; vol. 73; (1969); p. 557,559, View in Reaxys; Schmidt; Brova; Berichte der Bunsen-Gesellschaft; vol. 75; (1971); p. 1334,1336,1338,1342, View in Reaxys; Schmid; Bellanato; Zeitschrift fuer Elektrochemie; vol. 65; (1961); p. 362, View in Reaxys; Schmid; Zeitschrift fuer Elektrochemie; vol. 66; (1962); p. 53, View in Reaxys 49 of 53

Description (IR Spectroscopy)

Intensity of IR bands

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Comment (IR Spectroscopy)

Intensitaet der CN-Valenzschwingungsbande (CCl4 und CHCl3).

Jesson; Thompson; Spectrochimica Acta; vol. 13; (1959); p. 217,218, View in Reaxys 50 of 53

Description (IR Spectroscopy)

Intensity of IR bands

Comment (IR Spectroscopy)

Intensitaet der CH-Valenzschwingungsbanden (CCl4).

Flett; Journal de Physique et le Radium; vol. <8> 15; (1954); p. 388, View in Reaxys 51 of 53

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

10000 - 6250 cm**(-1)

Suhrmann; Klein; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. <B> 50; (1941); p. 35; Atti X. Congr. int. Chim.

Rom 1938; vol. Bd.; p. 2 S. 525, 529, View in Reaxys 52 of 53

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

3704 - 1961 cm**(-1)

Gordy; Williams; Journal of Chemical Physics; vol. 3; (1935); p. 666; Journal of Chemical Physics; vol. 4; (1936); p.

86, View in Reaxys 53 of 53

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

10000 - 833 cm**(-1)

Bell; Journal of the American Chemical Society; vol. 57; (1935); p. 1024, View in Reaxys Mass Spectrometry (30) Description (Mass Location Spectrometry)

Comment (Mass Spectrometry)

References

high resolution supporting informass spectrome- mation try (HRMS); spectrum

Nambo, Masakazu; Yar, Muhammad; Smith, Joel D.; Crudden, Cathleen M.; Organic Letters; vol. 17; nb. 1; (2015); p. 50 - 53, View in Reaxys

gas chromatography mass spectrometry (GCMS); electron impact (EI); spectrum

Nielsen, Lasse Janniche; Moller, Birger Lindberg; Phytochemistry (Elsevier); vol. 120; (2015); p. 3 - 18, View in Reaxys

CID (collision-induced dissociation); spectrum

supporting information

Streuff, Jan; Feurer, Markus; Frey, Georg; Steffani, Alberto; Kacprzak, Sylwia; Weweler, Jens; Leijendekker, Leonardus H.; Kratzert, Daniel; Plattner, Dietmar A.; Journal of the American Chemical Society; vol. 137; nb. 45; (2015); p. 14396 - 14405, View in Reaxys

high resolution mass spectrometry (HRMS); electron impact (EI); spectrum

Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S.; RSC Advances; vol. 4; nb. 8; (2014); p. 4181 - 4186, View in Reaxys

gas chromatogra- supporting inforphy mass specmation trometry (GCMS); spectrum

Patil, Umakant B.; Shendage, Suresh S.; Nagarkar, Jayashree M.; Synthesis (Germany); vol. 45; nb. 23; (2013); p. 3295 - 3299, View in Reaxys; Matthessen, Roman; Claes, Laurens; Fransaer, Jan; Binnemans, Koen; De Vos, Dirk E.; European Journal of Organic Chemistry; vol. 2014; nb. 30; (2014); p. 6649 - 6652, View in Reaxys

high resolution mass spectrometry (HRMS); elec-

Tang, Hai-Tao; Zhou, Yun-Bing; Zhu, Yu; Sun, Hong-Chao; Lin, Min; Zhan, Zhuang-Ping; Chemistry - An Asian Journal; vol. 9; nb. 5; (2014); p. 1278 - 1281, View in Reaxys

supporting information

Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

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trospray ionisation (ESI); spectrum gas chromatography mass spectrometry (GCMS); spectrum

Palencia, Gemma; Ibargoitia, Maria Luisa; Fresno, Maria; Sopelana, Patricia; Guillen, Maria Dolores; Molecules; vol. 19; nb. 6; (2014); p. 7937 - 7958, View in Reaxys

electron impact (EI); spectrum

supporting information

Rai, Ankita; Yadav, Lal Dhar S.; European Journal of Organic Chemistry; nb. 10; (2013); p. 1889 - 1893, View in Reaxys

spectrum

supporting information

Shen, Tao; Wang, Teng; Qin, Chong; Jiao, Ning; Angewandte Chemie - International Edition; vol. 52; nb. 26; (2013); p. 6677 - 6680; Angew. Chem.; vol. 125; nb. 26; (2013); p. 6809 - 6612,4, View in Reaxys; Dev, Dharm; Palakurthy, Nani Babu; Kumar, Nitesh; Mandal, Bhubaneswar; Tetrahedron Letters; vol. 54; nb. 33; (2013); p. 4397 - 4400, View in Reaxys

GCMS (Gas chro- supporting informatography mass mation spectrometry); Spectrum

Zhu, Chenjie; Ji, Lei; Wei, Yunyang; Synthesis; nb. 18; (2010); p.

3121 - 3125, View in Reaxys; Zhu, Chenjie; Sun, Chengguo; Wei, Yunyang; Synthesis; nb. 24; (2010); p. 4235 - 4241; Art.No: F14610SS, View in Reaxys; Rajesh, Kunjanpillai; Dudle, Balz; Blacque, Olivier; Berke, Heinz; Advanced Synthesis and Catalysis; vol.

353; nb. 9; (2011); p. 1479 - 1484, View in Reaxys; Ren, Yunlai; Yan, Mengjie; Zhao, Shuang; Sun, Yanpei; Wang, Jianji; Yin, Weiping; Liu, Zhifei; Tetrahedron Letters; vol. 52; nb. 39; (2011); p. 5107 - 5109, View in Reaxys; Ren, Yunlai; Dong, Chuanhua; Zhao, Shuang; Sun, Yanpei; Wang, Jianji; Ma, Junying; Hou, Chaodong; Tetrahedron Letters; vol. 53; nb. 23; (2012); p. 2825 - 2827, View in Reaxys

EI (Electron impact); GCMS (Gas chromatography mass spectrometry); Spectrum

Enthaler, Stephan; Inoue, Shigeyoshi; Chemistry - An Asian Journal; vol. 7; nb. 1; (2012); p. 169 - 175, View in Reaxys; Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p. 351 - 357, View in Reaxys

Spectrum

Zhu, Jintao; Song, Guangwei; Yao, Guoxin; Chen, Gang; Synthetic Communications; vol. 42; nb. 13; (2012); p. 1934 - 1940, View in Reaxys

ESI (Electrospray ionisation); Spectrum

Drouet, Fleur; Fontaine, Patrice; Masson, Geraldine; Zhu, Jieping; Synthesis; nb. 8; (2009); p. 1370 - 1374; Art.No: T19708SS, View in Reaxys; Enthaler, Stephan; Weidauer, Maik; Catalysis Letters; vol. 141; nb. 8; (2011); p. 1079 - 1085, View in Reaxys

HRMS (High reso- supporting inforlution mass spec- mation trometry); Spectrum

Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei; Angewandte Chemie - International Edition; vol. 50; nb. 19; (2011); p. 4470 - 4474, View in Reaxys

EI (Electron impact); Spectrum

supporting information

Zhou, Shaolin; Addis, Daniele; Das, Shoubhik; Junge, Kathrin; Beller, Matthias; Chemical Communications; nb. 32; (2009); p. 4883 - 4885, View in Reaxys; Yang, Yingying; Tang, Shan; Liu, Chao; Zhang, Huimin; Sun, Zhexun; Lei, Aiwen; Organic and Biomolecular Chemistry; vol. 9; nb. 15; (2011); p. 5343 - 5345, View in Reaxys

ESI (Electrospray ionisation); Spectrum

supporting information

Enthaler, Stephan; Chemistry - A European Journal; vol. 17; nb. 34; (2011); p. 9316 - 9319, View in Reaxys; Enthaler, Stephan; European Journal of Organic Chemistry; nb. 25; (2011); p. 4760 - 4763, View in Reaxys

Photoionization; TOFMS (Time of flight mass spectrum); Spectrum

Xie, Mingfeng; Zhou, Zhongyue; Wang, Zhandong; Chen, Dongna; Qi, Fei; International Journal of Mass Spectrometry; vol. 303; nb. 2-3; (2011); p. 137 - 146, View in Reaxys

ESI (Electrospray ionisation) EI (Electron impact); Spectrum

supporting information

mol peak

Sanki, Aditya K.; Talan, Rommel S.; Sucheck, Steven J.; Journal of Organic Chemistry; vol. 74; nb. 5; (2009); p. 1886 - 1896, View in Reaxys

mol peak

Zhou, Shaolin; Junge, Kathrin; Addis, Daniele; Das, Shoubhik; Beller, Matthias; Organic Letters; vol. 11; nb. 11; (2009); p. 2461 2464, View in Reaxys

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HRMS (High reso- supporting inforlution mass spec- mation trometry); ESI (Electrospray ionisation)

mol peak

Zhou, Shaolin; Junge, Kathrin; Addis, Daniele; Das, Shoubhik; Beller, Matthias; Organic Letters; vol. 11; nb. 11; (2009); p. 2461 2464, View in Reaxys

HRMS (High reso- supporting inforlution mass spec- mation trometry); EI (Electron impact); Spectrum

Zhou, Shaolin; Addis, Daniele; Das, Shoubhik; Junge, Kathrin; Beller, Matthias; Chemical Communications; nb. 32; (2009); p. 4883 - 4885, View in Reaxys

GCMS (Gas chromatography mass spectrometry); EI (Electron impact); Spectrum

Fernandes, Fatima; De Pinho, Paula Guedes; Valentao, Patricia; Pereira, Jose A.; Andrade, Paula B.; Journal of Agricultural and Food Chemistry; vol. 57; nb. 15; (2009); p. 6795 - 6802, View in Reaxys

spectrum; electron impact (EI)

Venkat Narsaiah; Nagaiah; Advanced Synthesis and Catalysis; vol.

346; nb. 11; (2004); p. 1271 - 1274, View in Reaxys; Kangani, Cyrous O.; Day, Billy W.; Kelley, David E.; Tetrahedron Letters; vol. 49; nb.

5; (2008); p. 914 - 918, View in Reaxys

spectrum

Mills, Frank D.; Brown, Richard T.; Synthetic Communications; vol.

20; nb. 20; (1990); p. 3131 - 3135, View in Reaxys; Kikuchi, Tohru; Kadota, Shigetoshi; Suehara, Hisashi; Nishi, Arasuke; Tsubaki, Keisuke; et al.; Chemical & Pharmaceutical Bulletin; vol. 31; nb. 2; (1983); p. 659 - 663, View in Reaxys; Gil, Victor; MacLeod, Alexander J.; Phytochemistry (Elsevier); vol. 19; (1980); p. 227 - 232, View in Reaxys; Blay, Gonzalo; Cardona, Luz; Garcia, Begona; Lahoz, Luisa; Pedro, Jose R.; Tetrahedron; vol. 52; nb. 25; (1996); p.

8611 - 8618, View in Reaxys

spectrum; electron impact (EI)

MIKE (mass ion kinetic energy); metastable ions

Selva, Antonio; Auricchio, Sergio; Truscello, Ada M.; Organic Mass Spectrometry; vol. 29; nb. 5; (1994); p. 232 - 237, View in Reaxys

collisional activation

Selva, Antonio; Auricchio, Sergio; Truscello, Ada M.; Organic Mass Spectrometry; vol. 29; nb. 5; (1994); p. 232 - 237, View in Reaxys

electron impact (EI)

Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb.

7; (1994); p. 1749 - 1762, View in Reaxys MIKE (mass ion kinetic energy)

electron impact (EI); spectrum

Molenaar-Langeveld, Tineke A.; Fokkens, Roel H.; Ingemann, Steen; Nibbering, Nico M.M.; Organic Mass Spectrometry; vol. 27; nb. 4; (1992); p. 390 - 397, View in Reaxys Polivin, Yu. N.; Vinokurov, V. A.; Makarshin, S. V.; Karakhanov, R. A.; Silin, M. A.; Ageev, E. A.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 39; nb. 7.2; (1990); p. 1528 - 1530; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 7; (1990); p. 1682 - 1684, View in Reaxys Yamanishi; Shimojo; Ukita; et al.; Agricultural and Biological Chemistry; vol. 37; nb. 9; (1973); p. 2147 - 2153, View in Reaxys; Crewe et al.; Journal of Chemical Ecology; vol. 5; (1979); p. 861,864, View in Reaxys; Pereira et al.; Biochimica et Biophysica Acta; vol. 313; (1973); p. 170,172,178, View in Reaxys; Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys; Bank; Thomas; Journal of Organic Chemistry; vol.

42; (1977); p. 2858,2864, View in Reaxys; Heerma; Dijkstra; Organic Mass Spectrometry; vol. 3; (1970); p. 379,381, View in Reaxys; Nibbering; deBoer; Tetrahedron; vol. 24; (1968); p. 1435, View in Reaxys

UV/VIS Spectroscopy (15) 1 of 15

Solvent (UV/VIS Spectroscopy)

ethanol

Absorption Maxima (UV/ 257.7 VIS) [nm]

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Ext./Abs. Coefficient [l·mol-1cm-1]

240.9

Malki, Fatiha; Touati, Abdelkader; Rahal, Said; Moulay, Saad; Asian Journal of Chemistry; vol. 23; nb. 3; (2011); p. 961 - 967, View in Reaxys 2 of 15

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Comment (UV/VIS Spectroscopy)

230 - 285 nm

Tetenchuk, K. P.; Belousova, G. M.; Proshchina, N. N.; Lyustik, A. A.; Pharmaceutical Chemistry Journal; vol. 15; nb. 12; (1981); p. 901 - 903; Khimiko-Farmatsevticheskii Zhurnal; vol. 15; nb. 12; (1981); p. 99 - 102, View in Reaxys 3 of 15

Description (UV/VIS Spectroscopy)

Absorption maxima

Reichardt; Justus Liebigs Annalen der Chemie; vol. 752; (1971); p. 64, View in Reaxys; Lebedeva et al.; Zhurnal Organicheskoi Khimii; vol. 13; (1977); p. 905,829, View in Reaxys; Shorygin et al.; Russian Journal of Physical Chemistry; vol. 42; (1968); p. 832,834; ; p. 1584, View in Reaxys; Petrov et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 25; (1976); p. 762,763,764; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 25; (1976); p. 782, View in Reaxys; Sachariewa et al.; Izvestiya na Otdelenieto za Khimicheski Nauki (Bulgarska Akademiya na Naukite); vol. 4; (1971); p. 427,428, 430, 433, View in Reaxys 4 of 15

Description (UV/VIS Spectroscopy)

UV/VIS

Schmidt; Brova; Berichte der Bunsen-Gesellschaft; vol. 75; (1971); p. 1334,1336,1338,1342, View in Reaxys; Lebedeva et al.; Doklady Physical Chemistry; vol. 220-225; (1975); p. 1208, View in Reaxys 5 of 15

Description (UV/VIS Spectroscopy)

Spectrum

Jerumanis,S.; Bruylants,A.; Bulletin des Societes Chimiques Belges; vol. 69; (1960); p. 312 - 322, View in Reaxys; Reichardt; Justus Liebigs Annalen der Chemie; vol. 752; (1971); p. 64, View in Reaxys 6 of 15

Description (UV/VIS Spectroscopy)

Oscillator strength

Berenfel'd; Kronganz; Bulletin of the Academy of Sciences of the USSR, Physical Series (English Translation); vol.

32; (1968); p. 1463; ; p. 1575, View in Reaxys 7 of 15

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol; sodium ethanolate / ethanol

Comment (UV/VIS Spectroscopy)

200 - 350 nm

Segers; Bruylants; Helvetica Chimica Acta; vol. 40; (1957); p. 561,567, View in Reaxys; Braye et al.; Chimie et Industrie (Paris); vol. 68; (1952); p. 351,354, View in Reaxys 8 of 15

Description (UV/VIS Spectroscopy)

Spectrum

Comment (UV/VIS Spectroscopy)

243.9 - 277.78 nm; von festem und fluessigem Phenylacetonitril bei -180grad bzw. bei 32grad.

Sen; Indian Journal of Physics (1926-1976); vol. 30; (1956); p. 321,325, View in Reaxys 9 of 15

Description (UV/VIS Spectroscopy)

Spectrum

Comment (UV/VIS Spectroscopy)

Dampf.

Imanishi; Kanda; Journal of the Scientific Research Institute, Tokyo; vol. 43; (1949); p. 199,210, View in Reaxys 10 of 15

Description (UV/VIS Spectroscopy)

Spectrum

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Solvent (UV/VIS Spectroscopy)

hexane

Mohler; Polya; Helvetica Chimica Acta; vol. 19; (1936); p. 283,286, 1222, 1234, 1239, 1240, View in Reaxys 11 of 15

Description (UV/VIS Spectroscopy)

Absorption maxima

Comment (UV/VIS Spectroscopy)

Absorptionskante der dampffoermigen und der fluessigen Verbindung.

Hukumoto; Journal of Chemical Physics; vol. 3; (1935); p. 165; Sci. Rep. Tohoku Univ., Ser. 1: Phys., Chem., Astron.; vol. <1> 23; (1934); p. 846; Chem. Zentralbl.; vol. 107; nb. I; (1936); p. 4534, View in Reaxys 12 of 15

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Ramart-Lucas; Hoch; Annales de Chimie (Cachan, France); vol. <10> 17; (1932); p. 207,244; Bulletin de la Societe Chimique de France; vol. <5> 2; (1935); p. 1376,1377, View in Reaxys 13 of 15

Description (UV/VIS Spectroscopy)

Spectrum

Comment (UV/VIS Spectroscopy)

des Dampfes.

Purvis; Journal of the Chemical Society; vol. 107; (1915); p. 505, View in Reaxys 14 of 15

Description (UV/VIS Spectroscopy)

Spectrum

Comment (UV/VIS Spectroscopy)

des fluessigen Benzylcyanids.

Baly; Tryhorn; Journal of the Chemical Society; vol. 107; (1915); p. 1067, View in Reaxys 15 of 15

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Comment (UV/VIS Spectroscopy)

der neutralen und alkal. Loesung.

Hewitt; Pope; Willett; Journal of the Chemical Society; vol. 101; (1912); p. 1772, View in Reaxys NQR Spectroscopy (2) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)

References

Nuclear quadru14N pole coupling constants

Liu, Xiao-Zhou; Bohn, Robert K.; Sorenson, Sterling A.; True, Nancy S.; Journal of Molecular Structure; vol. 243; nb. 3; (1991); p. 325 - 339, View in Reaxys

Nuclear quadrupole resonance

Colligiani et al.; Molecular Physics; vol. 14; (1968); p. 89,90, View in Reaxys

Rotational Spectroscopy (4) Description (Rota- References tional Spectroscopy) Microwave spectrum

Liu, Xiao-Zhou; Bohn, Robert K.; Sorenson, Sterling A.; True, Nancy S.; Journal of Molecular Structure; vol. 243; nb. 3; (1991); p. 325 - 339, View in Reaxys

Rotational spectrum

Liu, Xiao-Zhou; Bohn, Robert K.; Sorenson, Sterling A.; True, Nancy S.; Journal of Molecular Structure; vol. 243; nb. 3; (1991); p. 325 - 339, View in Reaxys

Intensity of micro- Liu, Xiao-Zhou; Bohn, Robert K.; Sorenson, Sterling A.; True, Nancy S.; Journal of Molecular Structure; wave bands vol. 243; nb. 3; (1991); p. 325 - 339, View in Reaxys Stark effect

Forest; Smyth; Journal of the American Chemical Society; vol. 86; (1964); p. 3474,3475, View in Reaxys

Raman Spectroscopy (4) Description (Ram- Location an Spectroscopy)

Comment (Raman References Spectroscopy)

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Bands

supporting information

Yamakoshi, Hiroyuki; Dodo, Kosuke; Palonpon, Almar; Ando, Jun; Fujita, Katsumasa; Kawata, Satoshi; Sodeoka, Mikiko; Journal of the American Chemical Society; vol. 134; nb. 51; (2012); p.

20681 - 20689, View in Reaxys

Spectrum

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Raman

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Raman intensities

Intensitaet der Raman-Banden bei 1600 cmE-1 und 1000 cmE-1.

Chalilow; Schorygin; Doklady Akademii Nauk SSSR; vol. 78; (1951); p. 1177,1179; Chem.Abstr.; (1952); p. 4368, View in Reaxys

Luminescence Spectroscopy (3) Description (Lumi- References nescence Spectroscopy) Luminescence lifetime

Homma; Yamada; Chemical and Pharmaceutical Bulletin; vol. 45; nb. 7; (1997); p. 1198 - 1201, View in Reaxys

Lasing properties

Mizugai, Yoshihiro; Katayama, Mikio; Journal of the American Chemical Society; vol. 102; nb. 21; (1980); p.

6424 - 6426, View in Reaxys

Luminescence quantum yield

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Fluorescence Spectroscopy (1) Description (Fluo- Comment (FluoReferences rescence Spectro- rescence Spectroscopy) scopy) Maxima

von fluessigem Benzylcyanid bei Bestrahlung mit Roentgenstrahlen.

Newcomer; Journal of the American Chemical Society; vol. 42; (1920); p. 2002, View in Reaxys

Other Spectroscopic Methods (1) Description (Other References Spectroscopic Methods) Photoelectron spectrum

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Pharmacological Data (27) 1 of 27

Comment (Pharmacological Data)

Bioactivities present

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667, View in Reaxys; Daughters; Journal of the American Chemical Society; vol. 39; (1917); p. 1928, View in Reaxys; Rising; Stieglitz; Journal of the American Chemical Society; vol. 40; (1918); p. 728, View in Reaxys; Paterno; Gazzetta Chimica Italiana; vol. 44 I; (1914); p. 256, View in Reaxys; Kindler; Justus Liebigs Annalen der Chemie; vol. 431; (1923); p. 213; Chem. Zentralbl.; vol. 94; nb. II; (1923); p. 403, View in Reaxys; Schwyzer,J.; Die Fabrikation pharmazeutischer und chemisch-technischer Produkte <Berlin 1931>, S. 240, View in Reaxys; Fourneau; Nicolitch; Bulletin de la Societe Chimique de France; vol. <4> 43; (1928); p. 1239, View in Reaxys; Rising; Muskat; Lowe; Journal of the American Chemical Society; vol. 51; (1929); p. 263, View in Reaxys; Rising; Zee; Journal of the American Chemical Society; vol. 50; (1928); p. 1704, View in Reaxys; Rising; Braun; Journal of the American Chemical Society; vol. 52; (1930); p. 1070,1072, View in Reaxys; Avery; Journal of the American Chemical Society; vol. 50; (1928); p. 2514,2518, View in Reaxys; Brand; Loehr; Journal fuer Praktische Chemie (Leipzig); vol. <2> 109; (1925); p. 375, View in Reaxys; Chrzaszczewska; Popiel; Roczniki Chemii; vol. 7; p. 75; Chem. Zentralbl.; vol. 98; nb. II; (1927); p. 415, View in Reaxys; Escourrou; Bulletin de la Societe Chimique de France; vol. <4> 45; (1929); p. 738, View in Reaxys; Grignard; Escourrou; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 180; (1925); p. 1884, View in Reaxys; Patent; I. G. Farbenind.; DE482943; Fortschr. Teerfarbenfabr. Verw. Industriezweige; vol. 16; p. 699, View in Reaxys; Rinkes; Recueil des Travaux Chimiques des Pays-Bas; vol. 39; (1920); p. 707, View in Reaxys; Rising; Journal of the American Chemical Society; vol. 42; (1920); p. 133, View in Reaxys; Rising; Zee; Journal of the American Chemical Society; vol. 50; (1928); p. 1210; Journal of the American Chemical Society; vol. 49; (1927); p. 542, View in Reaxys; Ramart; Amagat; Annales de Chimie (Cachan, France); vol. <10> 8; (1927); p. 286; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 184; (1927); p. 32, View in Reaxys; Lumiere; Perrin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 183; (1926); p. 618, View in Reaxys; Mc Rae; Manske; Journal of the Chemical Society; (1928); p. 490, View in Reaxys; Tilford; Van Campen; Shelton; Journal of the American Chemical Society; vol. 69; (1947); p. 2902,2904, View in Reaxys; Patent; I.G. Farbenind.; DE551869; (1931); Fortschr. Teerfarbenfabr. Verw. Industriezweige; vol. 19; p. 328, View in Reaxys; Ritter; Minieri; Journal of the American Chemical Society; vol. 70; (1948); p. 4045,4046, View in Reaxys; Patent; Fabr. Prod. Chim. Org. Laire; DE541229; (1927); Fortschr. Teerfarbenfabr. Verw. Industriezweige; vol. 17; p. 797, View in Reaxys; Kao; Yen; Chien; Journal of the Chinese Chemical Society (Peking); vol. 2; (1934); p. 240, View in Reaxys; Friend; Hargreaves; Phil. Mag.; vol. <7> 35; (1944); p. 619,628, View in Reaxys; Oxley et al.; Journal of the Chemical Society; (1946); p. 763,766, View in Reaxys; Oxley; Short; Journal of the Chemical Society; (1946); p. 147,149, View in Reaxys; Oxley; Partridge; Short; Journal of the Chemical Society; (1948); p. 303,308, View in Reaxys; Ferber; Leonhardt; Chemische Berichte; vol. 67; (1934); p. 245, View in Reaxys; Case; Journal of the American Chemical Society; vol. 55; (1933); p. 2927,2930, View in Reaxys; Wenner; Organic Syntheses; vol. Coll. Vol. IV; (1963); p. 760,

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111; nb. I; (1940); p. 44, View in Reaxys; Cook; Linstead; Journal of the Chemical Society; (1937); p. 929,930, 932, View in Reaxys; Patent; Resinous Prod. and Chem. Co.; US2305529; (1941), View in Reaxys; Mihina; Herbst; Journal of Organic Chemistry; vol. 15; (1950); p. 1082,1087, View in Reaxys; Fanta; Hedman; Journal of the American Chemical Society; vol. 78; (1956); p. 1434,1435, View in Reaxys; Turner; Journal of the Chemical Society; (1956); p.

1686,1688, View in Reaxys; Kirsanow; Solotow; Zhurnal Obshchei Khimii; vol. 20; (1950); p. 284,287; Chem.Abstr.; (1950); p. 6384, View in Reaxys; Bader et al.; Journal of the Chemical Society; (1950); p. 2775,2780, View in Reaxys; Patent; Nordmark-Werke; DE802818; (1950); DRP/DRBP Org.Chem., View in Reaxys; Morgan; Chemistry and Industry (London, United Kingdom); (1959); p. 854, View in Reaxys; Chase; Walker; Journal of the Chemical Society; (1953); p. 3518,3523, View in Reaxys; Eckstein; Grochowski; Przemysl Chemiczny; vol. 38; (1959); p. 693,694, 697; Chem.Abstr.; (1961); p. 4409, View in Reaxys; Jarrouse; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 244; (1957); p. 2615, View in Reaxys; Kharasch; Sosnowski; Tetrahedron; vol. 3; (1958); p. 105,109, View in Reaxys; Hauser et al.; Journal of the American Chemical Society; vol. 80; (1958); p. 4345,4348, View in Reaxys; Tanaka; Nippon Kagaku Zasshi; vol. 79; (1958); p. 1318,1320, 1322; Chem.Abstr.; (1960); p. 5559, View in Reaxys; Watanabe; Nippon Kagaku Zasshi; vol. 77; (1956); p. 977,978; Chem.Abstr.; (1958); p. 9014, View in Reaxys; Csueroes et al.; Acta Chimica Academiae Scientiarum Hungaricae; vol. 17; (1958); p. 309,318, 419, 428, 429, View in Reaxys; Segers; Bruylants; Helvetica Chimica Acta; vol. 40; (1957); p. 561,567, View in Reaxys; Braye et al.; Chimie et Industrie (Paris); vol. 68; (1952); p. 351,354, View in Reaxys; Vaughan; McCane; Journal of the American Chemical Society; vol. 76; (1954); p. 2504, View in Reaxys; Block;

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Sofia; 52 Chimija <1958> 1, 38; Chem.Abstr.; (1961); p. 1521, View in Reaxys; Iwanow et al.; Godisnik Univ. Sofia; 52 Chimija <1957/58> 1, 38; Chem.Abstr.; (1961); p. 1521, View in Reaxys; Casini et al.; Annali di Chimica (Rome, Italy); vol. 48; (1958); p. 1322,1327, View in Reaxys; Torf; Chromow-Borisow; Zhurnal Obshchei Khimii; vol. 26; (1956); p. 856,859, 860; engl. Ausg. S. 977, 979, View in Reaxys; Patent; E. Lilly and Co.; US2524319; (1949), View in Reaxys; Patent; Univ. Notre Dame; US2851477; (1957), View in Reaxys; Kondo et al.; Itsuu Kenkyusho Nempo; nb. 6; (1955); p. 18,19; engl. Ref. S. 53, 54; Chem.Abstr.; (1956); p. 10110, View in Reaxys; Kharasch; Sosnowski; Tetrahedron; vol. 3; (1958); p. 97,102, 103, View in Reaxys; Albert; Anal. Univ. Bukarest; nb. 14; (1957); p. 91,93, View in Reaxys; Salkowski,H.; Chemische Berichte; vol. 17; (1884); p. 506; Chemische Berichte; vol. 22; (1889); p. 2139, View in Reaxys; Claisen; Chemische Berichte; vol. 10; (1877); p. 430,431, View in Reaxys; Houben; Brassert; Ettinger; Chemische Berichte; vol. 42; (1909); p. 2750, View in Reaxys; Erlenmeyer junior; Justus Liebigs Annalen der Chemie; vol. 271; (1892); p. 174, View in Reaxys; Atkinson; Thorpe; Journal of the Chemical Society; vol. 89; (1906); p. 1922, View in Reaxys; Bodroux; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 151; (1910); p. 235; Bulletin de la Societe Chimique de France; vol. <4> 7; (1910); p. 847,850, View in Reaxys; Bodroux; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 151; (1910); p. 1358; Bulletin de la Societe Chimique de France; vol. <4> 9; (1911); p. 651, View in Reaxys; Patent; Riedel,J. D.; DE256461; Fortschr. Teerfarbenfabr. Verw. Industriezweige; vol. 11; p. 285, View in Reaxys; Hemmerle; Annales de Chimie (Cachan, France); vol. <9> 7; (1917); p. 229, View in Reaxys; Organic Syntheses 11 <New York 1931>, S. 40, View in Reaxys; Bodronx; Bulletin de la Societe Chimique de France; vol. <4> 9; (1911); p. 655, View in Reaxys; Houben; Fischer; Chemische Berichte; vol. 60; (1927); p. 1768; Journal fuer Praktische Chemie (Leipzig); vol. <2> 123; (1929); p. 273, View in Reaxys; Gault; Weick; Bulletin de la Societe Chimique de France; vol. <4> 31; (1922); p.

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1469,1470, View in Reaxys; Crewe et al.; Journal of Chemical Ecology; vol. 5; (1979); p. 861,864, View in Reaxys; Camail et al.; Journal of Physical Chemistry; vol. 79; (1975); p. 1962,1963-1965, View in Reaxys; Martin et al.; Journal fuer Praktische Chemie (Leipzig); vol. 312; (1970); p. 797,799, View in Reaxys; Bordwell et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 3226, View in Reaxys; Mauret et al.; Bulletin de la Societe Chimique de France; (1976); p. 429, View in Reaxys; Grochowski; Boleslawska; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 20; (1972); p. 303, View in Reaxys; Berrebi; Decroocq; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 71; (1974); p. 673,678, View in Reaxys; Monfort et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 67; (1970); p. 748,749-753, View in Reaxys; Smith et al.; Journal of Organic Chemistry; vol. 36; (1971); p. 2132,2137, View in Reaxys; Buchs; Helvetica Chimica Acta; vol. 53; (1970); p. 2026, View in Reaxys; Lee; Teo; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1973); p. 1617,1618, View in Reaxys; Janier-Dubry et al.; Bulletin de la Societe Chimique de France; (1971); p. 2816,2819, View in Reaxys; Hansch et al.; Journal of Organic Chemistry; vol. 37; (1972); p. 3090, View in Reaxys; Bodnarchuk; Kal'chenko; J. Gen. Chem. USSR (Engl. Transl.); vol. 45; (1975); p. 1020,1007, View in Reaxys; Gramstad; Tjessem; Journal of Molecular Structure; vol. 41; (1977); p. 231,233, 235, 236,

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41, View in Reaxys; Hidalgo; Adv. Mol. Spectrosc., Proc. Int. Meet., 4th; vol. 2; (1962); p. 801, View in Reaxys; Moehrle; Doernbrack; Pharmazie; vol. 29; (1974); p. 757,760, View in Reaxys; Frenkel' et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 46; (1976); p. 2352,2252, View in Reaxys; Mc Mahon; Ke Garle; Journal of the American Chemical Society; vol. 98; (1976); p. 3399, View in Reaxys; Stryjek et al.; Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques; vol. 27; (1979); p. 127,128,129,132-135, View in Reaxys; Pereira et al.; Biochimica et Biophysica Acta; vol. 313; (1973); p. 170,172,178, View in Reaxys; Berenfeld; Kronganz; Theoretical and Experimental Chemistry; vol. 5; (1969); p. 129; ; p. 196, View in Reaxys; Pasynkiewicz et al.; Justus Liebigs Annalen der Chemie; (1975); p. 636,640, View in Reaxys; Olah et al.; Synthesis; (1979); p. 227, View in Reaxys; Makaiyama et al.; Chemistry Letters; (1973); p. 357, View in Reaxys; Makosza et al.; Przemysl Chemiczny; vol. 57; (1978); p. 299,301; Chem.Abstr.; vol. 89; nb. 108568; (1978), View in Reaxys; Yukhnovskii; Theoretical and Experimental Chemistry; vol. 3; (1967); p. 232; ; p. 410, View in Reaxys; Berenfel'd; Kronganz; Theoretical and Experimental Chemistry; vol. 3; (1967); p.

63; ; p. 117, View in Reaxys; Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys; Heberhold; Brabetz; Chemische Berichte; vol. 103; (1970); p. 3896,3900, View in Reaxys; Fukunaga et al.; Nippon Kagaku Kaishi; (1977); p. 1379,1381; Chem.Abstr.; nb. 5818; (1978), View in Reaxys; Lebedeva et al.; Doklady Physical Chemistry; vol. 220-225; (1975); p. 1208, View in Reaxys; Glukhikh; Voronkov; Doklady Physical Chemistry; vol. 244-249; (1979); p. 744, View in Reaxys; Saarivirta; Planta Medica; vol. 24; (1973); p. 112,117, View in Reaxys; Krishnan et al.; Journal of Chemical Technology and Biotechnology (1979-1982); vol. 29; (1979); p.

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Comment (Pharmacological Data)

physiological behaviour discussed

Chen, Guo-Feng; Yang, Mei-Lin; Kuo, Ping-Chung; Lin, Mei-Chi; Liao, Ming-Yuan; Chemistry of Natural Compounds; vol. 50; nb. 1; (2014); p. 175 - 178; Khim. Prir. Soedin.; vol. 50; nb. 1; (2014); p. 154 - 156,3, View in Reaxys 3 of 27

Comment (Pharmacological Data)

physiological behaviour discussed

Mehta, Praveen Kumar; Bhatia, Shashi Kant; Bhatia, Ravi Kant; Bhalla, Tek Chand; Journal of Molecular Catalysis B: Enzymatic; vol. 105; (2014); p. 58 - 65, View in Reaxys 4 of 27

Comment (Pharmacological Data)

physiological behaviour discussed

Vesela, Alicja B.; Petrickova, Alena; Weyrauch, Philip; Martinkova, Ludmila; Biocatalysis and Biotransformation; vol. 31; nb. 1; (2013); p. 49 - 56, View in Reaxys 5 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Bacillus cereus

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)

MBC

Value of Type (Pharmacological Data)

0.6 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys

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6 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Bacillus cereus

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.07 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 7 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Escherichia coli

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)

MBC

Value of Type (Pharmacological Data)

0.6 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 8 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Escherichia coli

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.6 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 9 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Klebsiella pneumoniae

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)

MBC

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Value of Type (Pharmacological Data)

0.07 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 10 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Klebsiella pneumoniae

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.07 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 11 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Salmonella enteritidis

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)

MBC

Value of Type (Pharmacological Data)

0.07 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 12 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Salmonella enteritidis

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.03 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 13 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Sarcina lutea

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data)

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Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)

MBC

Value of Type (Pharmacological Data)

0.15 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 14 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Sarcina lutea

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.15 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 15 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Shigella sp.

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal bactericidal concentration (MBC) cological Data) Type (Pharmacological Data)

MBC

Value of Type (Pharmacological Data)

1.25 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 16 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Shigella sp.

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.6 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 17 of 27

Effect (Pharmacological Data)

antibacterial

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Species or Test-System (Pharmacological Data)

Staphylococcus aureus isolate 1

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; strain isolated from human material sample was used; minimal cological Data) bactericidal concentration (MBC) Type (Pharmacological Data)

MBC

Value of Type (Pharmacological Data)

0.6 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 18 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Staphylococcus aureus isolate 1

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; strain isolated from human material sample was used; minimal cological Data) inhibitory concentration (MIC) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.6 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 19 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Staphylococcus aureus isolate 2

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; strain isolated from human material sample was used; minimal cological Data) bactericidal concentration (MBC) Type (Pharmacological Data)

MBC

Value of Type (Pharmacological Data)

0.3 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 20 of 27

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Staphylococcus aureus isolate 2

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; strain isolated from human material sample was used; minimal cological Data) inhibitory concentration (MIC) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.3 mg/ml

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Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 21 of 27

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Aspergillus fumigatus

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal fungicidal concentration (MFC) cological Data) Type (Pharmacological Data)

MFC

Value of Type (Pharmacological Data)

0.3 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 22 of 27

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Aspergillus fumigatus

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.15 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 23 of 27

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Candida albicans

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal fungicidal concentration (MFC) cological Data) Type (Pharmacological Data)

MFC

Value of Type (Pharmacological Data)

5 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 24 of 27

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Candida albicans

Kind of Dosing (Pharma- title comp. prepared in aqueous Tween 80 cological Data) Further Details (Pharma- broth micro-dilution method; minimal inhibitory concentration (MIC) cological Data)

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Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.6 mg/ml

Radulovic, Niko S.; Dekic, Milan S.; Stojanovic-Radic, Zorica Z.; Phytochemistry Letters; vol. 5; nb. 2; (2012); p.

351 - 357, View in Reaxys 25 of 27

Effect (Pharmacological Data)

toxicokinetics

Species or Test-System (Pharmacological Data)

Crl:CD(SD)BR rat

Sex

male and female

Route of Application

intradermal

Concentration (Pharmacological Data)

150 mg/kg

Method (Pharmacological Data)

4 groups, each of 12 animals; body weight 200-300 g (female), 300-400 g (male); assessment of urinary thiocyanate excretion over 0-24, 24-28, 48-72 h post-dosing

Results

application of title comp. lead to 14-fold increase of urinary thiocyanate excretion; overall conversion of 33.6 percent for males, 24.9 percent for females; table

Potter; Smith; Api; Food and Chemical Toxicology; vol. 39; nb. 2; (2001); p. 147 - 151, View in Reaxys 26 of 27

Effect (Pharmacological Data)

anthelmintic

Endpoint of Effect (Phar- mortality macological Data) Species or Test-System (Pharmacological Data)

Caenorhabditis elegans strain N2

Exposure Period (Pharmacological Data)

4 - 13 h

Method (Pharmacological Data)

between 20 and 50 nematodes in 500 μl S medium with 30 μl E. coli culture placing in wells; 10 μl title comp. DMSO soln. addition; nematode survival measurement 4-5 h and 12-13 h after title comp. addn.; controls with DMSO alone

Further Details (Pharma- assay on free living nematode as model with important genetic similarities to parasitic nemcological Data) atodes; C. elegans maintenance on solid NGM medium; E. coli culture: 5 times concentrated overnight culture of E. coli WP2 (uvr A trp malB) in S medium Type (Pharmacological Data)

LC90

Value of Type (Pharmacological Data)

5000 μmol/l

Kermanshai, Rohan; McCarry, Brian E.; Rosenfeld, Jack; Summers, Peter S.; Weretilnyk, Elizabeth A.; Sorger, George J.; Phytochemistry; vol. 57; nb. 3; (2001); p. 427 - 435, View in Reaxys 27 of 27

Effect (Pharmacological Data)

antitumor

Species or Test-System (Pharmacological Data)

human erythroleukemic K562 cells

Concentration (Pharmacological Data)

0.1 - 500 μmol/l

Method (Pharmacological Data)

in vitro; antiproliferative assay; 5E4 cells/1.5 cm tissue culture dish; α-medium with 10 percent FCS; 5 percent CO2; 80 percent humidity; cell growth determinations performed by electronic counting

Further Details (Pharma- IC50: conc. required to cause 50 percent inhibition of cell growth cological Data) Type (Pharmacological Data)

IC50

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Value of Type (Pharmacological Data)

420 μmol/l

Results

conc.-response curve

Nastruzzi; Cortesi; Esposito; Menegatti; Leoni; Iori; Palmieri; Journal of Agricultural and Food Chemistry; vol. 48; nb. 8; (2000); p. 3572 - 3575, View in Reaxys Ecotoxicology (16) 1 of 16

Effect (Ecotoxicology)

insecticidal

Species or Test-System (Ecotoxicology)

Coptotermes formosanus, Formosan subterranean termite

Method (Ecotoxicology)

filter paper disk with 4 μmol title comp. placed in Petri dish; 20 workers (3rd instar or greater) and 1 soldier per replicate added; Petri dishes maintained at 100 percent relative humidity and 26.6 deg C; daily mortality evaluated for 21 d

Further Details (Ecotoxi- paper disks receiving water alone served as control; treatment in triplicate with each replicate cology) from different insect colony Comment (Ecotoxicology)

No effect

Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 2 of 16

Effect (Ecotoxicology)

toxicity to bacteria

Species or Test-System (Ecotoxicology)

Oscillatoria perornata

Concentration (Ecotoxicology)

0.0117 - 117 mg/l

Kind of Dosing (Ecotoxi- title comp. dissolved in pentane cology) Method (Ecotoxicology)

bacterial growth assay by absorbance measurement

Further Details (Ecotoxi- LCIC: lowest complete inhibition concentration cology) Type (Ecotoxicology)

LCIC

Value of Type (Ecotoxicology)

117 mg/l

Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 3 of 16

Effect (Ecotoxicology)

toxicity to bacteria

Species or Test-System (Ecotoxicology)

Selenastrum capricornutum

Concentration (Ecotoxicology)

0.0117 - 117 mg/l

Kind of Dosing (Ecotoxi- title comp. dissolved in pentane cology) Method (Ecotoxicology)

bacterial growth study by absorbance measurement

Comment (Ecotoxicology)

No effect

Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 4 of 16

Effect (Ecotoxicology)

pheromone activity

Species or Test-System (Ecotoxicology)

Meligethes aeneus, pollen beetle

Concentration (Ecotoxicology)

7 - 26 mg/day

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Kind of Dosing (Ecotoxi- undiluted title comp., H, NCS released individually from polyethylene (PE) bags; differ. recology) lease rates obtained by altering type and surface area of cellulose sponge, gauge of PE Method (Ecotoxicology)

field experiment; blocks of yellow water traps baited with lures of title comp., or H (4 or 13 mg/day), or NCS (2-phenylethyl isothiocyanate, 5 mg/day); captured insects removed, counted; blocks were rerandomized when >=10 beetles/treatment captured

Further Details (Ecotoxi- traps: water bowl were 2/3 filled with aq. detergent solut. (0.5 percent), set out in straight line cology) at 10 m along the edges of oilseed rape fields, ca. 1 m above ground; control: unbaited traps; +: signif. attracttion; x: no signif. effect; H: (Z)-3-hexen-1-ol Results

insects response was dependent on release rate of title comp.; mean insects caught per replicate (mg/day title comp.; response): ca. 137 (unbaited), 190 (7; x), 200 (13; +)

Smart, Lesley E.; Blight, Margaret M.; Journal of Chemical Ecology; vol. 26; nb. 4; (2000); p. 1051 - 1064, View in Reaxys 5 of 16

Effect (Ecotoxicology)

pheromone activity

Species or Test-System (Ecotoxicology)

Meligethes aeneus, pollen beetle

Concentration (Ecotoxicology)

1 - 7 mg/day

Kind of Dosing (Ecotoxi- undiluted title comp. and PhE released individually from polyethylene (PE) bags; differ. recology) lease rates obtained by altering type and surface area of cellulose sponge, gauge of PE Method (Ecotoxicology)

field experiment; blocks of yellow water traps baited with lures of title comp. or PhE (2phenylethanol, 1 or 6 mg/day); captured insects were removed and counted; blocks were rerandomized when >=10 beetles/treatment were captured

Further Details (Ecotoxi- traps: water bowl were 2/3 filled with aq. detergent solut. (0.5 percent), set out in a straight cology) line at 10 m along the edges of oilseed rape fields, ca. 1 m above ground; control: unbaited traps; behavioral response: no effect - x, signif. attraction - + Results

insects response was dependent on release rate of title comp.; mean insects caught per replicate (mg/day title comp.; response): ca. 12 (unbaited), 19 (1; x), 25 (7; +); response to title comp. was comparable with that to PhE

Smart, Lesley E.; Blight, Margaret M.; Journal of Chemical Ecology; vol. 26; nb. 4; (2000); p. 1051 - 1064, View in Reaxys 6 of 16

Effect (Ecotoxicology)

pheromone activity

Species or Test-System (Ecotoxicology)

Schistocerca gregaria, desert locust

Sex

male

Method (Ecotoxicology)

insects originated from speciments collected in 1991 in Niger; rearedet in lab. under gregarious conditions; 12:12 light:dark; 34 deg C at day, 27 deg C at night; 100-150 individuals; metal cages; feed daily fresh grass or wheat seedling and flaked oats

Further Details (Ecotoxi- Y and T glass olflactometer bioassays; closed-loop-stripping system; GC-MS analysis cology) Results

properties of courtship inhibiting pheromone; reppelent effect on gregarious mature males but only a week one on immature males

Seidelmann, Karsten; Luber, Karl; Ferenz, Hans-Joerg; Journal of Chemical Ecology; vol. 26; nb. 8; (2000); p. 1897 - 1910, View in Reaxys 7 of 16

Effect (Ecotoxicology)

olfactory

Species or Test-System (Ecotoxicology)

antenna of Pieris rapae crucivora, cabbage butterfly

Concentration (Ecotoxicology)

1 - 100 μg

Kind of Dosing (Ecotoxi- title comp. dissolved in CH2Cl2; deposited on filter paper strip cology) Method (Ecotoxicology)

in vitro; filter paper strip containing title comp. placed in glass tube; odor puff of 1 ml deliver. onto antenna prepar. together with deodor. and humid. air stream (350 ml/min); electroantennograms (EAG) record.; EAG intensity

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Further Details (Ecotoxi- title comp. tested on 5 different antennae of each sex; responses to blank puff and standard cology) comp. (hexan-1-ol) record. for every 2 meas. of title comp.

Results

EAG activity not high; sexual difference not signif. at doses smaller than 10 μg

Omura, Hisashi; Honda, Keiichi; Hayashi, Nanao; Journal of Chemical Ecology; vol. 25; nb. 8; (1999); p. 1895 1906, View in Reaxys 8 of 16

Effect (Ecotoxicology)

behavioral symtoms

Species or Test-System (Ecotoxicology)

Pieris rapae crucivora, cabbage butterfly

Sex

male and female

Concentration (Ecotoxicology)

5 mg

Method (Ecotoxicology)

attraction to artificial flower test; adult butterflies; 50-ml Erlenmeyer flask filled with water; title comp. appled to paper towel put in flask; 2 treat. and 2 control flowers placed in exper. area; number of alightings followed by PER during 30 min

Further Details (Ecotoxi- flask covered with green paper; doughnut-shaped yellow filter paper disk held horizont. on cology) top of flask; PER= postalightment behavior; during assay postions of artif. flowers rotated every 10 min Results

title comp. moderately stimulated foraging

Omura, Hisashi; Honda, Keiichi; Hayashi, Nanao; Journal of Chemical Ecology; vol. 25; nb. 8; (1999); p. 1895 1906, View in Reaxys 9 of 16

Effect (Ecotoxicology)

behavioral symtoms

Species or Test-System (Ecotoxicology)

Pieris rapae crucivora, cabbage butterfly

Sex

male and female

Concentration (Ecotoxicology)

5 mg

Method (Ecotoxicology)

adult butterflies placed in plastic cage; title comp. applied to filter paper strip; odor plume of title comp. deliver. onto antenna for 30 sec; proboscis extention response (PER); PER activ. record. as mean percent of responses from 40 individ. of each sex

Further Details (Ecotoxi- butterflies starved for ca. 20 h before exper.; odor plume delivered through glass tube with cology) deodorized and humidif. air; air flow 1400 ml/min; each individual assayed twice a day Results

moderate response (ca. 20 percent) from both sexes

Omura, Hisashi; Honda, Keiichi; Hayashi, Nanao; Journal of Chemical Ecology; vol. 25; nb. 8; (1999); p. 1895 1906, View in Reaxys 10 of 16

Effect (Ecotoxicology)

toxicity to invertebrates

Endpoint of Effect (Ecotoxicology)

insecticidal action

Species or Test-System (Ecotoxicology)

Rhizopertha dominica

Exposure Period (Ecotoxicology)

24 h

Method (Ecotoxicology)

mortality recording

Type (Ecotoxicology)

LC50

Value of Type (Ecotoxicology)

2.37 mg/l

Peterson; Tsao; Coats; Pesticide Science; vol. 54; nb. 1; (1998); p. 35 - 42, View in Reaxys 11 of 16

Effect (Ecotoxicology)

toxicity to invertebrates

Endpoint of Effect (Ecotoxicology)

insecticidal action

Species or Test-System (Ecotoxicology)

Musca domestica, house fly

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Exposure Period (Ecotoxicology)

24 h

Method (Ecotoxicology)

mortality recording

Type (Ecotoxicology)

LC50

Value of Type (Ecotoxicology)

0.97 mg/l

Peterson; Tsao; Coats; Pesticide Science; vol. 54; nb. 1; (1998); p. 35 - 42, View in Reaxys 12 of 16

Effect (Ecotoxicology)

pheromone activity

Species or Test-System (Ecotoxicology)

Ceutorhynchus assimilis (Paykull), cabbage seed weevil

Method (Ecotoxicology)

field experiments conducted on Rothamsted Farm, Harpenden; release rate: 7 mg/day; yellow water bowl traps

Further Details (Ecotoxi- compound found in oilseed rape odor (Brassica napus); exp. B: June 1-27, 1994 (6 replicology) cates) Results

mean C. assimilis caught per replicate: 40.3 (unbaited control: 20.0)

Smart, Lesley E.; Blight, Margaret M.; Journal of Chemical Ecology; vol. 23; nb. 11; (1997); p. 2555 - 2567, View in Reaxys 13 of 16

Effect (Ecotoxicology)

electrophysiological

Species or Test-System (Ecotoxicology)

Ceutorhynchus assimilis, cabbage seed weevil

Sex

female

Concentration (Ecotoxicology)

1E-6 g

Kind of Dosing (Ecotoxi- in a purified airstream (1 l/min) flowing continuously over the preparation cology) Exposure Period (Ecotoxicology)

1s

Method (Ecotoxicology)

electroantennography (EAG); whole antennae; Ag-AgCl glass electrodes filled with saline solution; antennae suspended between the two electrodes

Further Details (Ecotoxi- EAG response were normalized with respect to the response elicited by 1E-6 g of (Z)-3cology) hexen-1-ol (0.025 mV) Results

EAG response: 32 percent of response to (Z)-3-hexen-1-ol

Blight; Pickett; Wadhams; Woodcock; Journal of Chemical Ecology; vol. 21; nb. 11; (1995); p. 1649 - 1664, View in Reaxys 14 of 16

Effect (Ecotoxicology)

electrophysiological

Species or Test-System (Ecotoxicology)

Ceutorhynchus assimilis, cabbage seed weevil

Sex

male

Concentration (Ecotoxicology)

1E-6 g

Kind of Dosing (Ecotoxi- in a purified airstream (1 l/min) flowing continuously over the preparation cology) Exposure Period (Ecotoxicology)

1s

Method (Ecotoxicology)

electroantennography (EAG); whole antennae; Ag-AgCl glass electrodes filled with saline solution; antennae suspended between the two electrodes

Further Details (Ecotoxi- EAG response were normalized with respect to the response elicited by 1E-6 g of (Z)-3cology) hexen-1-ol (0.28 mV) Results

EAG response: 117 percent of response to (Z)-3-hexen-1-ol

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Blight; Pickett; Wadhams; Woodcock; Journal of Chemical Ecology; vol. 21; nb. 11; (1995); p. 1649 - 1664, View in Reaxys 15 of 16

Effect (Ecotoxicology)

electrophysiological

Species or Test-System (Ecotoxicology)

Schistocerca gregaria (Forksal), desert locust

Sex

male and female

Concentration (Ecotoxicology)

10 μg

Method (Ecotoxicology)

older adults, 18-25 days after molt; elctroanntenography (EAG); N=13

Results

mean of EAG amplitude: ca. 1.6-1.8 mV (control: air ca. 0.2 mV, CH2Cl2 ca. 0.3 mv); higher for male

Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys 16 of 16

Effect (Ecotoxicology)

behavioral symtoms

Endpoint of Effect (Ecotoxicology)

aggregation

Species or Test-System (Ecotoxicology)

Schistocerca gregaria (Forksal), desert locust

Sex

male and female

Concentration (Ecotoxicology)

25 - 250 LH

Method (Ecotoxicology)

older adults, 18-25 days after molt; young adults, 4-10 days after molt; fifth instar nymphs, 3-5 days after molt; glass olfactometer

Further Details (Ecotoxi- 1 LH - volatiles emitted by one locust for 1 hour cology) Results

aggregation index (mean over dose range): young 61, older 62; no effect from fifth instar nymphs; dose-response diagram; also at conc. 0.00001-0.1 μM; no significant difference between males and females

Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys Exposure Assessment (4) Exposure Sources

References

presence in drink- treating East Fork ing water concen- Lake water in Ohio trate by coagulation followed by chlorination or ozonation/ post-chlorination, spiking with bromide and iodide and concentrating by reverse osmosis

Richardson, Susan D.; Thruston Jr., Alfred D.; Krasner, Stuart W.; Weinberg, Howard S.; Miltner, Richard J.; Schenck, Kathleen M.; Narotsky, Michael G.; McKague, A. Bruce; Simmons, Jane Ellen; Journal of Toxicology and Environmental Health - Part A: Current Issues; vol. 71; nb. 17; (2008); p. 1165 - 1186, View in Reaxys

presence in emis- heating of nitrosions gen-containing plastics such as acetonitrile-butadiene-styrene at low temp. (<=300 deg C); table

Watanabe, Mafumi; Nakata, Chisto; Wu, Wei; Kawamoto, Katsuya; Noma, Yukio; Chemosphere; vol. 68; nb. 11; (2007); p. 2063 - 2072, View in Reaxys

presence in air

emissions from Pinto, Delia M.; Blande, James D.; Nykaenen, Riikka; Dong, Wen-Xia; Nerg, Annepotted herbivore Marja; Holopainen, Jarmo K.; Journal of Chemical Ecology; vol. 33; nb. 4; (2007); p. 683 damage Brassica - 694, View in Reaxys oleracea spp. capitata L. cv. Lennox, cabbage plants

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formation in drink- organic matter ing water after containing in the ozonation drinking water taken from Mississippi River near Jefferson Parish, LA, USA

Richardson, Susan D.; Thruston Jr., Alfred D.; Caughran, Tashia V.; Chen, Paul H.; Collette, Timothy W.; Floyd, Terrance L.; Schenck, Kathleen M.; Lykins Jr., Benjamin W.; Sun, Guang-Ri; Majetich, George; Environmental Science and Technology; vol. 33; nb. 19; (1999); p. 3368 - 3377, View in Reaxys

Concentration in the Environment (2) 1 of 2

Media (Concentration in the Environment)

water

Location

Eijsden, river Meuse, Netherlands

Contamination Concentration

20 ng/l

Method, Remarks (Con- non-filtered samples; August - October 1998; 80 l of sampled water solid-phase-extracted centration in the Environ- for 24 h by 150 ml of a 1:1 (v/v) XAD-4/XAD-8 polymer mixture; GC-AED (atomic emission ment) detection)/MS analysis Van Stee; Leonards; Van Loon; Jan Hendriks; Struijs; Brinkman; Maas; Water Research; vol. 36; nb. 18; (2002); p. 4455 - 4470, View in Reaxys 2 of 2

Media (Concentration in the Environment)

coal gasification effluent

Location

Nanjing, China

Contamination Concentration

0.071 mg/l

Method, Remarks (Con- filtered effluent sample 1 was passed through C18 SPE column; elution with 25, 50, 75, 80, centration in the Environ- 85, 90, 95, 100 percent methanol/water solutions; 50 percent fraction of effluent sample 1; ment) GC-MS Jin; Yang; Yu; Yin; Bulletin of Environmental Contamination and Toxicology; vol. 63; nb. 3; (1999); p. 399 - 406, View in Reaxys Bioaccumulation, Biomagnification and Biomonitoring (1) 1 of 1

Species (Bioaccumulation, Biomagnification and Biomonitoring)

Odocoileus virginianus, white-tailed deer

Method, Remarks (Bio- urine samples collected from dominant and subordinate males during breeding and nonaccumulation, Biomagni- breeding seasons; social and seasonal effects monitoring; GC-MS analysis fication and Biomonitoring) Biomonitoring

title comp. detd. both in dominant and subordinate males in breeding season; GC integrated peak area: 2.95 and 2.4 log units, resp.

Miller; Jemiolo; Gassett; Jelinek; Wiesler; Novotny; Journal of Chemical Ecology; vol. 24; nb. 4; (1998); p. 673 683, View in Reaxys Abiotic Degradation, Hydrolysis (1) 1 of 1

Type (Abiotic Degradation, Hydrolysis)

oxidation

Concentration (Abiotic Ca. 1 ng/l Degradation, Hydrolysis) Method, Remarks (Abio- O3-enriched air (120 ng/l) was channeled to glass desiccator containing title comp.-emitting, tic Degradation, Hydroly- herbivore-damaged plant (Brassica oleracea L. cv. Lennox, cabbage); headspace sampled sis) for 60 min; GC-MS; reduced title comp. conc. observed; diagram Pinto, Delia M.; Blande, James D.; Nykaenen, Riikka; Dong, Wen-Xia; Nerg, Anne-Marja; Holopainen, Jarmo K.; Journal of Chemical Ecology; vol. 33; nb. 4; (2007); p. 683 - 694, View in Reaxys Use (2) Laboratory Use and Handling

Use Pattern

References

Promoter in the di- Patent; Lewis, Kenrick M.; Cameron, Rudolph A.; Ritscher, James S.; Ritscher, Karect synthesis of ren; US2007/287850; (2007); (A1) English, View in Reaxys trialkoxysilane

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retarded the corrosion of copper in 3 mol L-1 HNO3

Fouda, A. S.; Al-Naimi, I. S.; Bulletin de la Societe Chimique de France; nb. 1; (1991); p.

35 - 38, View in Reaxys

Isolation from Natural Product (11) Isolation from Nat- References ural Product root barks of Mor- Chen, Guo-Feng; Yang, Mei-Lin; Kuo, Ping-Chung; Lin, Mei-Chi; Liao, Ming-Yuan; Chemistry of Natural inga oleifera Lam; Compounds; vol. 50; nb. 1; (2014); p. 175 - 178; Khim. Prir. Soedin.; vol. 50; nb. 1; (2014); p. 154 - 156,3, purchased from View in Reaxys Sing flow seed Trading Co., Ltd., Tainan, Taiwan, May 2006 leaves of Fallopia Noge, Koji; Abe, Makoto; Tamogami, Shigeru; Molecules; vol. 16; nb. 8; (2011); p. 6481 - 6488, sachalinensis View in Reaxys (giant knotweed), collected at Kamishinjyo, Akita Sity, Japan in August 2009, and infested by Popillia japonica (Japanese beetle) or treated with exogenous airborne methyl jasmonate Brassica rapa, rape flower

Omura, Hisashi; Honda, Keiichi; Hayashi, Nanao; Journal of Chemical Ecology; vol. 25; nb. 8; (1999); p.

1895 - 1906, View in Reaxys

1.) seedlings of Butzenlechner, Maria; Thimet, Susanne; Kempe, Klaus; Kexel, Hugo; Schmidt, Hanns-Ludwig; PhytoLepidum sativum, chemistry; vol. 43; nb. 3; (1996); p. 585 - 592, View in Reaxys 2.) enzyme preparation from the kernels of sweet almonds, phosphate buffer Botrytis cinerea

Kikuchi, Tohru; Kadota, Shigetoshi; Suehara, Hisashi; Nishi, Arasuke; Tsubaki, Keisuke; et al.; Chemical & Pharmaceutical Bulletin; vol. 31; nb. 2; (1983); p. 659 - 663, View in Reaxys

aus HOJI-Cha

Yamanishi; Shimojo; Ukita; et al.; Agricultural and Biological Chemistry; vol. 37; nb. 9; (1973); p. 2147 - 2153, View in Reaxys

in Tomatenaroma

Viani et al.; Helvetica Chimica Acta; vol. 52; (1969); p. 887,888, View in Reaxys

aus Aroma von schwarzem Tee (GC)

Bricout et al.; Helvetica Chimica Acta; vol. 50; (1967); p. 1517, View in Reaxys

Enzymatische Virtanen; Saarivirta; Suomen Kemistilehti B; vol. 35; (1962); p. 248, View in Reaxys Spaltung v. Glucotropaeolin aus Lepidum sativum, neben and. Verb.

V. in Coronopus didymus

Fester et al.; Revista de la Facultad de Ingenieria Quimica (Universidad Nacional del Litoral); vol. 28; (1959); p. 9; Chem.Abstr.; vol. 55; nb. 10809; (1961), View in Reaxys

in den Blueten von Sabetay; Palfray; Trabaud; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; Leptactina sene- vol. 207; (1938); p. 540, View in Reaxys gambica

Reaxys ID 3916998 View in Reaxys

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CAS Registry Number: 26388-11-4 Chemical Name: benzylcyanide, sodium salt; phenyl-acetonitrile; monosodium compound; Phenyl-acetonitril; Mononatriumverbindung; Natrium-benzylcyanid; Natrium-phenylacetonitril; Phenylacetonitril-natrium; monosodium-derivative of benzyl cyanide Linear Structure Formula: Na(1+)*NCCHC6H5 (1-)=NaNCCHC H 6 5 Molecular Formula: C8H6N*Na Molecular Weight: 139.132 Type of Substance: isocyclic InChI Key: DGESSECGVDRUDY-UHFFFAOYSA-N Note:

N

CH – Na +

Substance Label (2) Label References VI-10, M=Na

Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys

PhCH%-&X, X=CN

Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1047 - 1054, View in Reaxys

Related Structure (1) Related Structure References Constitution.

Upson; Thompson; Journal of the American Chemical Society; vol. 44; (1922); p. 182, View in Reaxys; Rising; Zee; Journal of the American Chemical Society; vol. 50; (1928); p. 1704, View in Reaxys

Melting Point (1) 1 of 1

Solvent (Melting Point)

diethyl ether

Rising; Braun; Journal of the American Chemical Society; vol. 52; (1930); p. 1070,1072, View in Reaxys Crystal Property Description (1) Colour & Other References Properties gelb

Rising; Braun; Journal of the American Chemical Society; vol. 52; (1930); p. 1070,1072, View in Reaxys

NMR Spectroscopy (2) 1 of 2

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 2 of 2

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1047 - 1054, View in Reaxys

Reaxys ID 2045812 View in Reaxys

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CAS Registry Number: 935-66-0 Chemical Name: phenylacetonitrile-α,α-d2; 2-phenyl(2,2(2)H)acetonitrile; 1,1-dideuteriobenzyl cyanide; phenyldideuterioacetonitrile; phenylacetonitrile-d2; dideuterio-phenyl-acetonitrile; α,α-Dideuteriobenzylcyanid Linear Structure Formula: C6H5C(2)H2CN Molecular Formula: C8H7N Molecular Weight: 119.134 Type of Substance: isocyclic; Isotope or isotope containing compound InChI Key: SUSQOBVLVYHIEX-NCYHJHSESA-N Note:

N 2H 2H

Substance Label (5) Label References BzCN-d2

Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys

3

Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys

II

Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys

1-d(2)

Kaiser,E.M. et al.; Journal of the American Chemical Society; vol. 93; nb. 17; (1971); p. 4237 - 4242, View in Reaxys

IV

Kaiser; Hauser; Journal of the American Chemical Society; vol. 88; (1966); p. 2348, View in Reaxys

Boiling Point (2) Boiling Point [°C]

Pressure (Boiling Point) [Torr]

References

106 - 107.5

12

Hall,J.H.; Wojciechowska,M.; Journal of Organic Chemistry; vol. 43; (1978); p. 3348 3353, View in Reaxys

77 - 78

3.8

Kaiser,E.M. et al.; Journal of the American Chemical Society; vol. 93; nb. 17; (1971); p.

4237 - 4242, View in Reaxys

Conformation (1) Object of Investi- References gation Conformation

Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys

Further Information (3) Description (Fur- References ther Information) Further information

Bank; Thomas; Journal of Organic Chemistry; vol. 42; (1977); p. 2858,2864, View in Reaxys

Further information

Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys

Further information

Kaiser; Hauser; Journal of the American Chemical Society; vol. 88; (1966); p. 2348, View in Reaxys

NMR Spectroscopy (6) 1 of 6

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- D2O scopy) Wimalasena, Kandatege; Alliston, Kevin R.; Journal of the American Chemical Society; vol. 117; nb. 4; (1995); p.

1220 - 1224, View in Reaxys 2 of 6

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

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Solvents (NMR Spectro- CDCl3 scopy) Wierlacher, Stefan; Sander, Wolfram; Uu, Michael T. H.; Journal of the American Chemical Society; vol. 115; nb.

20; (1993); p. 8943 - 8953, View in Reaxys 3 of 6

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)

2D-13C.

Wierlacher, Stefan; Sander, Wolfram; Uu, Michael T. H.; Journal of the American Chemical Society; vol. 115; nb.

20; (1993); p. 8943 - 8953, View in Reaxys 4 of 6

Description (NMR Spec- NMR troscopy) Hall,J.H.; Wojciechowska,M.; Journal of Organic Chemistry; vol. 43; (1978); p. 3348 - 3353, View in Reaxys; Jenkins; Cohen; Journal of Organic Chemistry; vol. 40; (1975); p. 3566,3570,3571, View in Reaxys

5 of 6

Description (NMR Spec- Spin-lattice relaxation time (T1) troscopy) Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys

6 of 6

Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)

1H-NMR

Kaiser,E.M. et al.; Journal of the American Chemical Society; vol. 93; nb. 17; (1971); p. 4237 - 4242, View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

IR

Jenkins; Cohen; Journal of Organic Chemistry; vol. 40; (1975); p. 3566,3570,3571, View in Reaxys Mass Spectrometry (1) References Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys; Bank; Thomas; Journal of Organic Chemistry; vol. 42; (1977); p. 2858,2864, View in Reaxys; Nibbering; deBoer; Tetrahedron; vol. 24; (1968); p. 1435, View in Reaxys

Reaxys ID 1863831 View in Reaxys

4/77 CAS Registry Number: 18802-89-6 Chemical Name: phenylacetonitrile carbanion; phenylacetonitrile anion; phenylacetonitrile; deprotonated form; cyano-phenylmethanide; Phenylacetonitril-Anion; Phenylacetonitril Linear Structure Formula: C8H6N(1-) Molecular Formula: C8H6N Molecular Weight: 116.142 Type of Substance: isocyclic InChI Key: QGTHPEHTJZQOGC-UHFFFAOYSA-N Note:

N

CH –

Substance Label (9) Label References 1 (1-)

Niyazymbetov, Murat E.; Rongfeng, Zhou; Evans, Dennis H.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 9; (1996); p. 1957 - 1962, View in Reaxys

II

Binev, I. G.; Tsenov, J. A.; Velcheva, E. A.; Juchnovski, I. N.; Journal of Molecular Structure; vol. 344; (1995); p. 205 - 216, View in Reaxys

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9-anion

Bausch; Guadalupe-Fasano; Peterson; Journal of the American Chemical Society; vol. 113; nb. 22; (1991); p. 8384 - 8388, View in Reaxys

PhCHCN(-)

Bordwell, F. G.; Cheng, Jin-Pei; Journal of the American Chemical Society; vol. 111; nb. 5; (1989); p. 1792 1795, View in Reaxys

C6H5CHCN(1-)

Bordwell, Frederick G.; Bausch, Mark J.; Journal of the American Chemical Society; vol. 108; nb. 8; (1986); p. 1979 - 1985, View in Reaxys

VI-10

Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys

Tab.I Run 12 nucleoph.

Russell, Glen A.; Khanna, R. K.; Journal of the American Chemical Society; vol. 107; nb. 5; (1985); p. 1450 - 1452, View in Reaxys

1c X = CN

Bradamaule et al.; Journal of the Chemical Society, Chemical Communications; (1976); p. 478, View in Reaxys

Anion 2A

Albagnac et al.; Bulletin de la Societe Chimique de France; (1974); p. 1469,1470, View in Reaxys

Related Structure (1) Related Structure References The author inves- Binev, I. G.; Tsenov, J. A.; Velcheva, E. A.; Juchnovski, I. N.; Journal of Molecular Structure; vol. 344; (1995); tigated the config- p. 205 - 216, View in Reaxys uration Electrochemical Characteristics (3) 1 of 3

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical dimethylsulfoxide Characteristics) Comment (Electrochem- -0.06 V; Product: /BRN= 4176825/. No. of transm. electrons: 1. Method: cyclovoltammetry. ical Characteristics) Description: 0.1 M Et4N(1+)*BF4(1-), Pt electrode, Ag/AgI ref. electrode Product

α-Cyanbenzylradical

Bausch; Guadalupe-Fasano; Peterson; Journal of the American Chemical Society; vol. 113; nb. 22; (1991); p. 8384 - 8388, View in Reaxys 2 of 3

Description (Electrochemical Characteristics)

redox potential

Comment (Electrochem- Product: /BRN= 385941/. No. of transm. electrons: 1. Method: cyclovoltammetry. Descripical Characteristics) tion: referenced to the ferrocene-ferrocenium couple Product

phenylacetonitrile

Bordwell; Cheng, Jin-Pei; Ji, Guo-Zhen; Satish; Zhang, Xianman; Journal of the American Chemical Society; vol. 113; nb. 26; (1991); p. 9790 - 9795, View in Reaxys 3 of 3

Description (Electrochemical Characteristics)

oxidation potential

Bordwell, Frederick G.; Bausch, Mark J.; Journal of the American Chemical Society; vol. 108; nb. 8; (1986); p. 1979 - 1985, View in Reaxys NMR Spectroscopy (6) 1 of 6

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 2 of 6

Description (NMR Spec- Chemical shifts troscopy)

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Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 3 of 6

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide scopy) Comment (NMR Spectroscopy)

1H-1H.

Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 4 of 6

Description (NMR Spec- NMR troscopy) Bradamante; Pagani; Journal of Organic Chemistry; vol. 44; (1979); p. 4735, View in Reaxys

5 of 6

Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)

13C (para-13C) s. Fig.

Bradamaule et al.; Journal of the Chemical Society, Chemical Communications; (1976); p. 478, View in Reaxys 6 of 6

Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)

1H

Albagnac et al.; Bulletin de la Societe Chimique de France; (1974); p. 1469,1470, View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

dimethylsulfoxide

Comment (IR Spectroscopy)

3056 - 1173 cm**(-1)

Binev, I. G.; Tsenov, J. A.; Velcheva, E. A.; Juchnovski, I. N.; Journal of Molecular Structure; vol. 344; (1995); p.

205 - 216, View in Reaxys

Reaxys ID 2249723 View in Reaxys

5/77 CAS Registry Number: 83552-81-2 Chemical Name: <1-13C>-phenylacetonitrile; Benzyl <1-13C>cyanide; Phenyl[1-13C]acetonitril; phenylacetonitrile-1-13C; phenylaceto[13C]nitrile; benzyl cyanide-8-(13)C; 8-13C-benzyl cyanide Linear Structure Formula: C6H5CH2 (13)CN Molecular Formula: C8H7N Molecular Weight: 118.139 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-CDYZYAPPSA-N Note:

N 13

C

Substance Label (3) Label References

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2

Corrie, John E. T.; Ranjit; Munasinghe; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 48; nb. 3; (2005); p. 231 - 233, View in Reaxys; Patent; Ly, Tai Wei; US2011/172250; (2011); (A1) English, View in Reaxys

nitrile to 2

Holmes, Darren L.; Lightner, David A.; Tetrahedron; vol. 51; nb. 6; (1995); p. 1607 - 1622, View in Reaxys

<1-13C>-11

Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic and BioOrganic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys

Boiling Point (1) Boiling Point [°C] 121 - 124

Pressure (Boiling Point) [Torr]

References

12

Fathi, Behrouz; Giovannini, Edgardo; Helvetica Chimica Acta; vol. 85; nb. 7; (2002); p.

2083 - 2088, View in Reaxys

Conformation (2) Object of Investi- References gation Energy difference between the conformers

Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys

Conformation

Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys

Crystal Property Description (1) Colour & Other Location Properties

References

colorless

Patent; Ly, Tai Wei; US2011/172250; (2011); (A1) English, View in Reaxys

Page/Page column 21

NMR Spectroscopy (11) 1 of 11

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

90

Corrie, John E. T.; Ranjit; Munasinghe; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 48; nb. 3; (2005); p. 231 - 233, View in Reaxys 2 of 11

Nucleus (NMR Spectroscopy)

1H

Coupling Nuclei

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

90

Corrie, John E. T.; Ranjit; Munasinghe; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 48; nb. 3; (2005); p. 231 - 233, View in Reaxys 3 of 11

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy) Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys 4 of 11

Description (NMR Spec- Spin-spin coupling constants troscopy)

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Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)

13C-1H.

Cox, Russell J.; O'Hagan, David; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); nb. 10; (1991); p. 2537 - 2540, View in Reaxys 5 of 11

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- benzene-d6 scopy) Temperature (NMR Spectroscopy) [°C]

26.9

Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys 6 of 11

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- benzene-d6 scopy) Temperature (NMR Spectroscopy) [°C]

26.9

Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys 7 of 11

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CS2; cyclohexane-d12 scopy) Temperature (NMR Spectroscopy) [°C]

26.9

Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys 8 of 11

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- benzene-d6 scopy) Temperature (NMR Spectroscopy) [°C]

26.9

Comment (NMR Spectroscopy)

1H-1H, 13C-1H.

Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys 9 of 11

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CS2; cyclohexane-d12 scopy) Temperature (NMR Spectroscopy) [°C]

26.9

Comment (NMR Spectroscopy)

13C-13C.

Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys

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10 of 11

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- benzene-d6 scopy) Temperature (NMR Spectroscopy) [°C]

26.9

Comment (NMR Spectroscopy)

1H-13C, 13C-13C.

Schaefer, Ted; Penner, Glenn H.; Canadian Journal of Chemistry; vol. 64; (1986); p. 2013 - 2020, View in Reaxys 11 of 11

Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)

13C

Crow; McNab; Australian Journal of Chemistry; vol. 32; (1979); p. 123,125,131, View in Reaxys

Reaxys ID 3572473 View in Reaxys

6/77 CAS Registry Number: 58477-04-6 Chemical Name: phenylacetonitrile lithium salt Linear Structure Formula: C8H6N(1-)*Li(1+) Molecular Formula: C8H6N*Li Molecular Weight: 123.083 Type of Substance: isocyclic InChI Key: SOIITMWYFLHDPF-UHFFFAOYSA-N Note:

N

CH – Li+

Substance Label (7) Label References 3

Reich, Hans J.; Biddle, Margaret M.; Edmonston, Robert J.; Journal of Organic Chemistry; vol. 70; nb. 9; (2005); p. 3375 - 3382, View in Reaxys

α

Viteva, Lilia; Stefanovski, Yuri; Gospodova, Tzveta; Mazieres, Marie Rose; Wolf, Jean Gerard; Tetrahedron Letters; vol. 41; nb. 15; (2000); p. 2541 - 2544, View in Reaxys

VI-10, M=Li

Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys

1b

Hatzigrigoriou, E.; Wartski, L.; Seyden-Penne, J.; Toromanoff, E.; Tetrahedron; vol. 41; nb. 21; (1985); p.

5045 - 5050, View in Reaxys

VII

Antipin, I.S.; Vedernikov, A.N.; Konovalov, A.I.; Journal of Organic Chemistry USSR (English Translation); vol. 21; (1985); p. 1233 - 1234; Zhurnal Organicheskoi Khimii; vol. 21; nb. 6; (1985); p. 1355 - 1356, View in Reaxys

3d

Boche, Gernot; Schrott, Wolfgang; Tetrahedron Letters; vol. 23; nb. 51; (1982); p. 5403 - 5406, View in Reaxys

II

Juchnovski,I.N.; Binev,I.G.; Journal of Organometallic Chemistry; vol. 99; (1975); p. 1 - 10, View in Reaxys

Association (MCS) (13) 1 of 13

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

tetrahydrofuran

Partner (Association (MCS))

lithium hexamethyldisilazane

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 2 of 13

Description (Association IR spectrum of the complex (MCS))

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Solvent (Association (MCS))

tetrahydrofuran

Partner (Association (MCS))

lithium hexamethyldisilazane

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 3 of 13

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

tetrahydrofuran

Partner (Association (MCS))

lithium diisopropyl amide

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 4 of 13

Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))

tetrahydrofuran

Partner (Association (MCS))

lithium diisopropyl amide

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 5 of 13

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

tetrahydrofuran

Partner (Association (MCS))

n-butyllithium

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 6 of 13

Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))

tetrahydrofuran

Partner (Association (MCS))

n-butyllithium

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 7 of 13

Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))

benzene

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane

Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol.

25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 8 of 13

Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))

various solvent(s)

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Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane

Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol.

25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 9 of 13

Description (Association UV/VIS spectrum of the complex (MCS)) Solvent (Association (MCS))

tetrahydrofuran

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane

Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol.

25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 10 of 13

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

tetrahydrofuran

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane

Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol.

25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 11 of 13

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

benzene

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane

Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol.

25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 12 of 13

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

25

Partner (Association (MCS))

4,7,13,18-tetraoxa-1,10-diazabicyclo[8.5.5]eicosane

Antipin, I. S.; Vedernikov, A. N.; Konovalov, A. I.; Journal of Organic Chemistry USSR (English Translation); vol.

25; nb. 1.1; (1989); p. 1 - 9; Zhurnal Organicheskoi Khimii; vol. 25; nb. 1; (1989); p. 3 - 12, View in Reaxys 13 of 13

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

tetrahydrofuran

Temperature (Association (MCS)) [°C]

25

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Partner (Association (MCS))

<2.1.1>cryptand

Antipin, I.S.; Vedernikov, A.N.; Konovalov, A.I.; Journal of Organic Chemistry USSR (English Translation); vol. 21; (1985); p. 1233 - 1234; Zhurnal Organicheskoi Khimii; vol. 21; nb. 6; (1985); p. 1355 - 1356, View in Reaxys NMR Spectroscopy (4) 1 of 4

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- tetrahydrofuran scopy) Temperature (NMR Spectroscopy) [°C]

20

Frequency (NMR Spectroscopy) [MHz]

62.9

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 2 of 4

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- tetrahydrofuran; hexane scopy) Temperature (NMR Spectroscopy) [°C]

20

Frequency (NMR Spectroscopy) [MHz]

62.9

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 3 of 4

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- tetrahydrofuran; toluene scopy) Temperature (NMR Spectroscopy) [°C]

20

Frequency (NMR Spectroscopy) [MHz]

62.9

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 4 of 4

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys IR Spectroscopy (6) 1 of 6

Description (IR Spectroscopy)

Spectrum

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Solvent (IR Spectroscopy)

tetrahydrofuran

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 2 of 6

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

tetrahydrofuran

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 3 of 6

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

various solvents

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 4 of 6

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

various solvents

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 5 of 6

Description (IR Spectroscopy)

Bands

Juchnovski; Binev; Izvestiya po Khimiya; vol. 9; (1976); p. 465,467,469, View in Reaxys 6 of 6

Description (IR Spectroscopy)

Spectrum

Juchnovski; Binev; Izvestiya po Khimiya; vol. 9; (1976); p. 465,467,469, View in Reaxys Raman Spectroscopy (2) Description (Ram- Solvent (Raman an Spectroscopy) Spectroscopy)

References

Spectrum

various solvents

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys

Bands

various solvents

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys

Reaxys ID 1940648 View in Reaxys

7/77 CAS Registry Number: 4701-32-0 Chemical Name: [1-14C]-benzyl cyanide; phenyl-[1-14 C]acetonitrile; Phenylacetonitril-1-14C; Benzyl-(14C)-cyanid; Benzyl-cyanid-14C; 14C-Benzylcyanid; Benzylcyanid-14C Linear Structure Formula: C7 (14)CH7N Molecular Formula: C8H7N Molecular Weight: 119.139 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-WGGUOBTBSA-N Note:

N 14

C

Substance Label (1) Label References

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2

Shackleford, David M.; Hayball, Peter J.; Reynolds, Geoffrey D.; Hamon, David P. G.; Evans, Allan M.; Milne, Robert W.; Nation, Roger L.; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 44; nb.

3; (2001); p. 225 - 234, View in Reaxys

Boiling Point (3) Boiling Point [°C]

Pressure (Boiling Point) [Torr]

References

108 - 111

13

Wiberg et al.; Journal of Organic Chemistry; vol. 37; (1972); p. 3229,3234, View in Reaxys

108 - 110

14

Binns et al.; Journal of the Chemical Society [Section] C: Organic; (1970); p. 2063,2069, View in Reaxys

100 - 101

8

Coke et al.; Journal of the American Chemical Society; vol. 91; (1969); p. 1154, View in Reaxys

Reaxys ID 1938548 View in Reaxys

8/77 CAS Registry Number: 36696-80-7 Chemical Name: <4-2H>benzyl cyanide; (4-deuterio-phenyl)acetonitrile; 4-Deutero-phenylacetonitril; p-Deutero-benzylcyanid; p-Deuterobenzylcyanid; Benzylcyanid-4-d(1); Benzyl-4-d1cyanid Linear Structure Formula: C8H6DN Molecular Formula: C8H7N Molecular Weight: 118.142 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-MICDWDOJSA-N Note:

N

2H

Substance Label (2) Label References 2206

Fury; Jonas; Journal of Chemical Physics; vol. 65; (1976); p. 2206, View in Reaxys

I

Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys

Boiling Point (1) Boiling Point [°C] 64

Pressure (Boiling Point) [Torr]

References

1.3

Chao, Herbert S.-I.; Berchtold, Glenn A.; Journal of Organic Chemistry; vol. 46; nb. 6; (1981); p. 1191 - 1194, View in Reaxys

Conformation (1) Object of Investi- References gation Conformation

Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys

Further Information (2) Description (Fur- References ther Information) Further information

Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys

Further information

Perel et al.; Journal of Medicinal Chemistry; vol. 10; (1967); p. 371,372, View in Reaxys

Mechanical Properties (1) Description (MeReferences chanical Properties) Viscosity

Fury; Jonas; Journal of Chemical Physics; vol. 65; (1976); p. 2206, View in Reaxys

NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- Spin-lattice relaxation time (T1) troscopy) Dezwaan; Jonas; Journal of Physical Chemistry; vol. 77; (1973); p. 1768, View in Reaxys

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Mass Spectrometry (1) References Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys; Nibbering; deBoer; Tetrahedron; vol. 24; (1968); p. 1435, View in Reaxys

Reaxys ID 4176825 View in Reaxys

9/77 CAS Registry Number: 56620-16-7 Chemical Name: α-Cyanbenzylradical Linear Structure Formula: C8H6N Molecular Formula: C8H6N Molecular Weight: 116.142 Type of Substance: isocyclic InChI Key: CNKSMVXPLZYNNV-UHFFFAOYSA-N Note:

N

CH

Substance Label (5) Label References 1 radical

Niyazymbetov, Murat E.; Rongfeng, Zhou; Evans, Dennis H.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 9; (1996); p. 1957 - 1962, View in Reaxys

9-radical

Bausch; Guadalupe-Fasano; Peterson; Journal of the American Chemical Society; vol. 113; nb. 22; (1991); p. 8384 - 8388, View in Reaxys

IIIa

Weir, D.; Journal of Physical Chemistry; vol. 94; nb. 15; (1990); p. 5870 - 5875, View in Reaxys

PhCHCN radical

Bordwell, F. G.; Cheng, Jin-Pei; Journal of the American Chemical Society; vol. 111; nb. 5; (1989); p. 1792 1795, View in Reaxys

7

Korth, Hans-Gert; Lommes, Petra; Sicking, Willi; Sustmann, Reiner; Chemische Berichte; vol. 118; nb. 11; (1985); p. 4627 - 4631, View in Reaxys

Electrochemical Characteristics (2) 1 of 2

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical acetonitrile Characteristics) Comment (Electrochem- 1.29 V; Product: /BRN= 4740803/. No. of transm. electrons: 1. Method: voltammetry. Deical Characteristics) scription: minigrid working electrode; Bu4NClO4, di-t-butylperoxide Product

C8H6N(1+)

Wayner, D. D. M.; Sim, B. A.; Dannenberg, J. J.; Journal of Organic Chemistry; vol. 56; nb. 16; (1991); p. 4853 4858, View in Reaxys 2 of 2

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical acetonitrile Characteristics) Comment (Electrochem- -0.54 V; Product: /BRN= 1863831/. No. of transm. electrons: 1. Method: voltammetry. Deical Characteristics) scription: minigrid working electrode; Bu4NClO4, di-t-butylperoxide Product

phenylacetonitrile carbanion

Wayner, D. D. M.; Sim, B. A.; Dannenberg, J. J.; Journal of Organic Chemistry; vol. 56; nb. 16; (1991); p. 4853 4858, View in Reaxys ESR Spectroscopy (2) 1 of 2

Description (ESR Spectroscopy)

ESR-hyperfine coupling constants

Temperature (ESR Spectroscopy) [°C]

-13

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Comment (ESR Spectro- 1H. . scopy) Korth, Hans-Gert; Lommes, Petra; Sicking, Willi; Sustmann, Reiner; Chemische Berichte; vol. 118; nb. 11; (1985); p. 4627 - 4631, View in Reaxys 2 of 2

Description (ESR Spectroscopy)

g-factor

Korth, Hans-Gert; Lommes, Petra; Sicking, Willi; Sustmann, Reiner; Chemische Berichte; vol. 118; nb. 11; (1985); p. 4627 - 4631, View in Reaxys Luminescence Spectroscopy (1) Description (Lumi- References nescence Spectroscopy) Luminescence lifetime

Weir, D.; Journal of Physical Chemistry; vol. 94; nb. 15; (1990); p. 5870 - 5875, View in Reaxys

Fluorescence Spectroscopy (2) Description (Fluo- Solvent (Fluoresrescence Spectro- cence Spectroscopy) scopy)

Comment (FluoReferences rescence Spectroscopy)

Spectrum

hexane

400 - 660 nm

Weir, D.; Journal of Physical Chemistry; vol. 94; nb. 15; (1990); p. 5870 - 5875, View in Reaxys

Maxima

hexane

477 nm

Weir, D.; Journal of Physical Chemistry; vol. 94; nb. 15; (1990); p. 5870 - 5875, View in Reaxys

Reaxys ID 2248115 View in Reaxys

10/77 CAS Registry Number: 14072-73-2 Chemical Name: phenylacetonitrile d-1; deuterio-phenyl-acetonitrile; α-Deutero-phenylacetonitril; Phenyl-cyan-monodeuteromethan Linear Structure Formula: C8H6DN Molecular Formula: C8H7N Molecular Weight: 118.142 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-RAMDWTOOSA-N Note:

N

2H

Substance Label (1) Label References 11

Fleming, Ian; Solay, Monica; Stolwijk, Frederik; Journal of Organometallic Chemistry; vol. 521; nb. 1-2; (1996); p. 121 - 124, View in Reaxys

Melting Point (1) 1 of 1

Melting Point [°C]

159 - 160

Kaiser et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 3640,3643, View in Reaxys Further Information (1) Description (Fur- References ther Information) Further information

Iskander; Riad; Journal of the Chemical Society; (1961); p. 223,225, View in Reaxys

NMR Spectroscopy (4) 1 of 4

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy)

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Fleming, Ian; Solay, Monica; Stolwijk, Frederik; Journal of Organometallic Chemistry; vol. 521; nb. 1-2; (1996); p.

121 - 124, View in Reaxys 2 of 4

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Fleming, Ian; Solay, Monica; Stolwijk, Frederik; Journal of Organometallic Chemistry; vol. 521; nb. 1-2; (1996); p.

121 - 124, View in Reaxys 3 of 4

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)

1H-1H

Fleming, Ian; Solay, Monica; Stolwijk, Frederik; Journal of Organometallic Chemistry; vol. 521; nb. 1-2; (1996); p.

121 - 124, View in Reaxys 4 of 4

Description (NMR Spec- NMR troscopy) Barfield; Grant; Journal of the American Chemical Society; vol. 85; (1963); p. 1899,1903, View in Reaxys; Kaiser et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 3640,3643, View in Reaxys

IR Spectroscopy (2) 1 of 2

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

3299 - 4717 cm**(-1)

Fleming, Ian; Solay, Monica; Stolwijk, Frederik; Journal of Organometallic Chemistry; vol. 521; nb. 1-2; (1996); p.

121 - 124, View in Reaxys 2 of 2

Description (IR Spectroscopy)

Bands

Iskander; Riad; Journal of the Chemical Society; (1961); p. 223,225, View in Reaxys Mass Spectrometry (1) References Kaiser et al.; Journal of Organic Chemistry; vol. 32; (1967); p. 3640,3643, View in Reaxys

Reaxys ID 4383995 View in Reaxys

11/77 CAS Registry Number: 73368-35-1 Chemical Name: phenylacetonitrile-α-13C; <α-13C>Benzolacetonitril; (α-13C)benzyl cyanide; Benzyl-α-13C cyanide; phenyl[1-13C]acetonitrile Linear Structure Formula: C7 (13)CH7N Molecular Formula: C8H7N Molecular Weight: 118.139 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-PTQBSOBMSA-N Note:

N

13CH

2

Substance Label (3) Label References

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11

Clark, Adrian D.; Ha, Uyen T.; Prager, Rolf H.; Smith, Jason A.; Australian Journal of Chemistry; vol. 52; nb.

11; (1999); p. 1029 - 1033, View in Reaxys

26

Franke, Wilfried; Frenking, Gernot; Schwarz, Helmut; Wolfschuetz, Roland; Chemische Berichte; vol. 114; (1981); p. 3878 - 3895, View in Reaxys

Tab. I

Sardella, D. J.; Mahathalang, P.; Mariani, H. A.; Boger, E.; Journal of Organic Chemistry; vol. 45; nb. 11; (1980); p. 2064 - 2068, View in Reaxys

Boiling Point (1) Boiling Point [°C] 120 - 125

Pressure (Boiling Point) [Torr]

References

20

Sardella, D. J.; Mahathalang, P.; Mariani, H. A.; Boger, E.; Journal of Organic Chemistry; vol. 45; nb. 11; (1980); p. 2064 - 2068, View in Reaxys

NMR Spectroscopy (4) 1 of 4

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CCl4 scopy) Franke, Wilfried; Frenking, Gernot; Schwarz, Helmut; Wolfschuetz, Roland; Chemische Berichte; vol. 114; (1981); p. 3878 - 3895, View in Reaxys; Apeloig, Yitzhak; Franke, Wilfried; Rappoport, Zvi; Schwarz, Helmut; Stahl, Daniel; Journal of the American Chemical Society; vol. 103; nb. 10; (1981); p. 2770 - 2780, View in Reaxys 2 of 4

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CCl4 scopy) Comment (NMR Spectroscopy)

1H-1H, 13C-1H.

Franke, Wilfried; Frenking, Gernot; Schwarz, Helmut; Wolfschuetz, Roland; Chemische Berichte; vol. 114; (1981); p. 3878 - 3895, View in Reaxys 3 of 4

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CCl4 scopy) Comment (NMR Spectroscopy)

13C-1H.

Apeloig, Yitzhak; Franke, Wilfried; Rappoport, Zvi; Schwarz, Helmut; Stahl, Daniel; Journal of the American Chemical Society; vol. 103; nb. 10; (1981); p. 2770 - 2780, View in Reaxys 4 of 4

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)

13C-1H.

Sardella, D. J.; Mahathalang, P.; Mariani, H. A.; Boger, E.; Journal of Organic Chemistry; vol. 45; nb. 11; (1980); p.

2064 - 2068, View in Reaxys

Reaxys ID 2437530 View in Reaxys

12/77

N

CAS Registry Number: 15171-44-5 Chemical Name: Cyanophenyl carbene; cyano-phenyl-methanediyl; Phenyl-cyan-methylen; Phenylcyanocarben; cyano-phenyl-carbene Linear Structure Formula: C8H5N

C

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Molecular Formula: C8H5N Molecular Weight: 115.134 Type of Substance: isocyclic InChI Key: XIOSJNMXDBKBIC-UHFFFAOYSA-N Note: Substance Label (3) Label References 14

Hoj, Martin; Kvaskoff, David; Wentrup, Curt; Journal of Organic Chemistry; vol. 79; nb. 1; (2014); p. 307 313, View in Reaxys

7a

Herges, Rainer; Geuenich, Daniel; Bucher, Goetz; Toenshoff, Christina; Chemistry - A European Journal; vol. 6; nb. 7; (2000); p. 1224 - 1228, View in Reaxys

I

Petrellis; Griffin; Chemical Communications (London); (1968); p. 1099, View in Reaxys

IR Spectroscopy (2) 1 of 2

Description (IR Spectroscopy)

Bands

Hoj, Martin; Kvaskoff, David; Wentrup, Curt; Journal of Organic Chemistry; vol. 79; nb. 1; (2014); p. 307 - 313, View in Reaxys 2 of 2

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

gaseous matrix

Temperature (IR Spectroscopy) [°C]

-263.15

Herges, Rainer; Geuenich, Daniel; Bucher, Goetz; Toenshoff, Christina; Chemistry - A European Journal; vol. 6; nb. 7; (2000); p. 1224 - 1228, View in Reaxys ESR Spectroscopy (1) 1 of 1

Description (ESR Spectroscopy)

Spectrum

Hoj, Martin; Kvaskoff, David; Wentrup, Curt; Journal of Organic Chemistry; vol. 79; nb. 1; (2014); p. 307 - 313, View in Reaxys Quantum Chemical Calculations (1) Calculated Prop- Method (Quantum Location erties Chemical Calculations) IR bands, intensi- DFT - density ties, transition mo- functional methments; Oscillator ods strength, transition probability; Atom distances, angles

supporting information

References

Hoj, Martin; Kvaskoff, David; Wentrup, Curt; Journal of Organic Chemistry; vol. 79; nb. 1; (2014); p. 307 - 313, View in Reaxys

Reaxys ID 2582893 View in Reaxys

13/77 CAS Registry Number: 65538-26-3 Chemical Name: [1,1,2',3',4',5',6'-2H7]-phenylacetonitrile; [2H7]phenylacetonitrile; dideuterio-pentadeuteriophenyl-acetonitrile; Phenylacetonitril-d(7); Benzylcyanid-d7 Linear Structure Formula: C8N(2)H7 Molecular Formula: C8H7N Molecular Weight: 124.095 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-XZJKGWKKSA-N Note:

N 2

H 2H

2H

2H 2H

2H 2H

Substance Label (2) Label References

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4

Aboul-Enein; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 13; (1977); p. 509,510,512, View in Reaxys

keine Formelnum- Hinrichs; Kurreck; Niemeier; Tetrahedron; vol. 30; nb. 2; (1974); p. 315 - 320, View in Reaxys mer im Original Boiling Point (2) Boiling Point [°C]

Pressure (Boiling Point) [Torr]

References

110 - 120

12

Aboul-Enein; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 13; (1977); p. 509,510,512, View in Reaxys

90

10

Hinrichs; Kurreck; Niemeier; Tetrahedron; vol. 30; nb. 2; (1974); p. 315 - 320, View in Reaxys

Refractive Index (1) Refractive Index Wavelength (Refractive Index) [nm]

Temperature (Re- References fractive Index) [°C]

1.52

20

589

Hinrichs; Kurreck; Niemeier; Tetrahedron; vol. 30; nb. 2; (1974); p.

315 - 320, View in Reaxys

Reaxys ID 3718866 View in Reaxys

14/77 CAS Registry Number: 75782-32-0 Chemical Name: potassium salt of phenylacetonitrile; phenylacetonitrile; monopotassium compound; Phenyl-acetonitril; Monokaliumverbindung Linear Structure Formula: K(1+)*CH(C6H5)CN(1-)=KCH(C6H5)CN Molecular Formula: C8H6N*K Molecular Weight: 155.241 Type of Substance: isocyclic InChI Key: JJNVRLDZFINVGP-UHFFFAOYSA-N Note:

N

CH – K+

Substance Label (1) Label References IIc

Gorelik, M.V.; Titova, S.P.; Kanor, M.A.; Journal of Organic Chemistry USSR (English Translation); vol. 24; (1988); p. 1610 - 1611; Zhurnal Organicheskoi Khimii; vol. 24; nb. 8; (1988); p. 1786 - 1787, View in Reaxys

Melting Point (1) 1 of 1

Solvent (Melting Point)

benzene; petroleum ether

Rising; Muskat; Lowe; Journal of the American Chemical Society; vol. 51; (1929); p. 263, View in Reaxys Crystal Property Description (1) Colour & Other References Properties gelb

Rising; Muskat; Lowe; Journal of the American Chemical Society; vol. 51; (1929); p. 263, View in Reaxys

Reaxys ID 5810628 View in Reaxys

15/77 CAS Registry Number: 70026-36-7 Chemical Name: 2-(2,3,4,5,6-pentadeuteriophenyl)acetonitrile; pentadeuteriophenylacetonitrile; Benzyl-d5 cyanide Linear Structure Formula: C6 (2)H5CH2CN Molecular Formula: C8H7N Molecular Weight: 122.111 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-RALIUCGRSA-N Note:

N 2

H

2H

2H

2H 2

H

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Substance Label (1) Label References 1-d5

Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys

IR Spectroscopy (2) 1 of 2

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

tetrahydrofuran

Comment (IR Spectroscopy)

2278 - 1305 cm**(-1)

Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys 2 of 2

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

2278 - 926 cm**(-1)

Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p. 6435 - 6447, View in Reaxys Raman Spectroscopy (1) Description (Ram- Comment (Raman References an Spectroscopy) Spectroscopy) Bands

neat (no solvent)

Croisat, Denis; Seyden-Penne, Jacqueline; Strzalko, Tekla; Wartski, Lya; Corset, Jacques; Froment, Francoise; Journal of Organic Chemistry; vol. 57; nb. 24; (1992); p.

6435 - 6447, View in Reaxys

Reaxys ID 3584719 View in Reaxys

16/77 O

O N

Linear Structure Formula: C14H28N2O4*C8H6N(1-)*Li(1+) Molecular Formula: C8H6N*C14H28N2O4*Li Molecular Weight: 411.471 Type of Substance: heterocyclic InChI Key: BNBZZWKFWIVXOS-UHFFFAOYSA-N Note:

N O

N CH –

O

Li+

Substance Label (1) Label References Tab.2, run 11

Antipin, Igor S.; Gareyev, Roustam F.; Vedernikov, Andrey N.; Konovalov, Alexander I.; Journal of Physical Organic Chemistry; vol. 7; nb. 4; (1994); p. 181 - 191, View in Reaxys

Electrochemical Behaviour (2) Description (Elec- References trochemical Behaviour) Electrolytic dissociation / protonation equilibrium

Antipin, Igor S.; Gareyev, Roustam F.; Vedernikov, Andrey N.; Konovalov, Alexander I.; Journal of Physical Organic Chemistry; vol. 7; nb. 4; (1994); p. 181 - 191, View in Reaxys

Stability constant

Antipin, Igor S.; Gareyev, Roustam F.; Vedernikov, Andrey N.; Konovalov, Alexander I.; Journal of Physical Organic Chemistry; vol. 7; nb. 4; (1994); p. 181 - 191, View in Reaxys

Reaxys ID 3725078 View in Reaxys

Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

17/77

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Chemical Name: ThCl4 * 2 benzyl cyanide; phenyl-acetonitrile; compound with ThCl4; Phenyl-acetonitril; Verbindung mit ThCl4 Linear Structure Formula: ThCl4*2C6H5CH2CN Molecular Formula: 2C8H7N*Cl4Th Molecular Weight: 608.151 Type of Substance: isocyclic; Coordination compound InChI Key: PVBJBBKJPZQAOF-UHFFFAOYSA-J Note:

Cl 2

N

(v4)

Cl

Th Cl Cl

Melting Point (1) 1 of 1

Comment (Melting Point) Decomposition.at:130 degreeC. Perrot; Devin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772, View in Reaxys

Decomposition (1) 1 of 1

Decomposition [°C]

130

Perrot, R.; Devin, C.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772 - 774, View in Reaxys; vol. Th: SVol.E; 1.2, page 1 - 27 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling

References

very sensitive to moisture

Perrot, R.; Devin, C.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772 - 774, View in Reaxys; vol. Th: SVol.E; 1.2, page 1 - 27 ; (from Gmelin), View in Reaxys

Reaxys ID 3725185 View in Reaxys

18/77 Chemical Name: phenyl-acetonitrile; compound with SnCl4; Phenyl-acetonitril; Verbindung mit SnCl4 Linear Structure Formula: SnCl4*2C6H5CH2CN Molecular Formula: 2C8H7N*Cl4Sn Molecular Weight: 494.823 Type of Substance: isocyclic InChI Key: LZSGVVYSUXLKMB-UHFFFAOYSA-J Note:

Cl 2

N Cl

Sn Cl Cl

Melting Point (1) 1 of 1

Melting Point [°C]

107.5

Perrot; Devin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772, View in Reaxys

Reaxys ID 5807560 View in Reaxys

19/77 CAS Registry Number: 144987-02-0 Chemical Name: <15N>phenylacetonitrile; Benzyl <15N>cyanide; [15N]-phenylacetonitrile; [15N]phenylacetonitrile Linear Structure Formula: C8H7 (15)N Molecular Formula: C8H7N Molecular Weight: 118.144 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-QBZHADDCSA-N Note:

15N

Substance Label (2) Label References 2a*

Rykowski; Wolinska; Van Der Plas; Journal of Heterocyclic Chemistry; vol. 37; nb. 4; (2000); p. 879 - 883, View in Reaxys

1

Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p. 122 - 127, View in Reaxys

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Boiling Point (1) Boiling Point [°C] 81 - 82

Pressure (Boiling Point) [Torr]

References

4

Kusuyama, Yoshiaki; Bulletin of the Chemical Society of Japan; vol. 65; nb. 9; (1992); p.

2546 - 2548, View in Reaxys

NMR Spectroscopy (7) 1 of 7

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Kusuyama, Yoshiaki; Bulletin of the Chemical Society of Japan; vol. 65; nb. 9; (1992); p. 2546 - 2548, View in Reaxys; Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p. 122 - 127, View in Reaxys 2 of 7

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CDCl3 scopy) Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p.

122 - 127, View in Reaxys 3 of 7

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)

15N-1H.

Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p.

122 - 127, View in Reaxys 4 of 7

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)

15N-13C.

Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p.

122 - 127, View in Reaxys 5 of 7

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- acetone-d6 scopy) Kusuyama, Yoshiaki; Bulletin of the Chemical Society of Japan; vol. 65; nb. 9; (1992); p. 2546 - 2548, View in Reaxys 6 of 7

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

15N

Solvents (NMR Spectro- CDCl3 scopy)

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Kusuyama, Yoshiaki; Bulletin of the Chemical Society of Japan; vol. 65; nb. 9; (1992); p. 2546 - 2548, View in Reaxys 7 of 7

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

15N

Solvents (NMR Spectro- acetone-d6 scopy) Kusuyama, Yoshiaki; Bulletin of the Chemical Society of Japan; vol. 65; nb. 9; (1992); p. 2546 - 2548, View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

3067 - 614 cm**(-1)

Weiner, Scott J.; Holl, Susan M.; Covey, Douglas F.; Magnetic Resonance in Chemistry; vol. 32; nb. 2; (1994); p.

122 - 127, View in Reaxys

Reaxys ID 17059546 View in Reaxys

20/77 Chemical Name: Rh(tris(3,5-dimethylpyrazolyl)hydridoborate)Cl2(C6H5CH2CN) Linear Structure Formula: Rh(3+)*(HB(C5H7N2)3) (1-)*2Cl(1-)*(C H CH CN)=Rh(HB(C H N )3)Cl (C H CH CN) 6 5 2 5 7 2 2 6 5 2 Molecular Formula: C8H7N*C15H22BN6*2Cl*Rh Molecular Weight: 588.153 Type of Substance: Coordination compound InChI Key: XKHQXWZQSZQQML-UHFFFAOYSA-M Note:

2 Cl – Rh 3+

N

N N N

BH– N

N

N

Melting Point (1) 1 of 1

Melting Point [°C]

360

May, S. M.; Reinsalu, P.; Powell, J.; Inorganic Chemistry; vol. 19; (1980); p. 1582 - 1589, View in Reaxys; vol. Rh: SVol.B2; 2.6.8, page 245 - 249 ; (from Gmelin), View in Reaxys Crystal Phase (1) Description (Crys- References tal Phase) prisms

May, S. M.; Reinsalu, P.; Powell, J.; Inorganic Chemistry; vol. 19; (1980); p. 1582 - 1589, View in Reaxys; vol. Rh: SVol.B2; 2.6.8, page 245 - 249 ; (from Gmelin), View in Reaxys

Crystal Property Description (1) Colour & Other References Properties golden

May, S. M.; Reinsalu, P.; Powell, J.; Inorganic Chemistry; vol. 19; (1980); p. 1582 - 1589, View in Reaxys; vol. Rh: SVol.B2; 2.6.8, page 245 - 249 ; (from Gmelin), View in Reaxys

NMR Spectroscopy (2) 1 of 2

Nucleus (NMR Spectroscopy)

1H

Comment (NMR Spectroscopy)

Y

May, S. M.; Reinsalu, P.; Powell, J.; Inorganic Chemistry; vol. 19; (1980); p. 1582 - 1589 ; (from Gmelin), View in Reaxys 2 of 2

Nucleus (NMR Spectroscopy)

1H

Comment (NMR Spectroscopy)

description given

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vol. Rh: SVol.B2; 2.6.8, page 245 - 249 ; (from Gmelin), View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Signals [cm-1]

2230

May, S. M.; Reinsalu, P.; Powell, J.; Inorganic Chemistry; vol. 19; (1980); p. 1582 - 1589, View in Reaxys; vol. Rh: SVol.B2; 2.6.8, page 245 - 249 ; (from Gmelin), View in Reaxys

Reaxys ID 1938580 View in Reaxys

21/77 CAS Registry Number: 73428-98-5 Chemical Name: phenyl-[3 H]acetonitrile Linear Structure Formula: C8H6TN Molecular Formula: C8H7N Molecular Weight: 119.142 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-NGIXYFTOSA-N Note:

N

3H

NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- Spin-spin coupling constants troscopy) Comment (NMR Spectroscopy)

3H-NMR

Bloxsidge et al.; Organic Magnetic Resonance; vol. 12; (1979); p. 574,575, View in Reaxys

Reaxys ID 1940647 View in Reaxys

22/77 CAS Registry Number: 42006-63-3 Chemical Name: phenylacetonitrile-α-14C; phenyl-[2-14 C]acetonitrile; <2-14C>-Phenylacetonitril Linear Structure Formula: C7 (14)CH7N Molecular Formula: C8H7N Molecular Weight: 119.139 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-ZQBYOMGUSA-N Note:

N

14

CH 2

Boiling Point (1) Boiling Point [°C] 79 - 80

Pressure (Boiling Point) [Torr]

References

4

Miller, David J.; Subramanian, Rm.; Saunders, William H.; Journal of the American Chemical Society; vol. 103; nb. 12; (1981); p. 3519 - 3522, View in Reaxys

Reaxys ID 2087699 View in Reaxys

23/77 CAS Registry Number: 53897-46-4 Chemical Name: (2,6-dideuterio-phenyl)-acetonitrile; o,o'-Dideuterobenzylcyanid; 2,6-D(2)-Benzylcyanid Linear Structure Formula: C8H5D2N Molecular Formula: C8H7N Molecular Weight: 119.134

N 2

H

2

H

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Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-KFRNQKGQSA-N Note: Further Information (1) Description (Fur- References ther Information) Further information

Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys

Mass Spectrometry (1) References Molenaer-Langeveld et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 725,728, View in Reaxys; Nibbering; deBoer; Tetrahedron; vol. 24; (1968); p. 1435, View in Reaxys

Reaxys ID 3722850 View in Reaxys

24/77 Chemical Name: vanadium (IV) chloride * 2 benzylcyanide; Vanadium(IV)-Chlorid * 2 Benzylcyanid Linear Structure Formula: VCl4*2C6H5CH2CN Molecular Formula: 2C8H7N*Cl4V Molecular Weight: 427.054 Type of Substance: isocyclic InChI Key: JCMFKFLVAVCQTC-UHFFFAOYSA-J Note:

Cl 2

N

(v4)

Cl

Sublimation (1) Sublimation [°C] 80

V Cl Cl

Pressure (Sublimation) [Torr]

References

0.3 - 0.5

Funk, H.; Mohaupt, G.; Paul, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 302; (1959); p. 199 - 210, View in Reaxys; vol. V: MVol.B2; 193, page 783 - 784 ; (from Gmelin), View in Reaxys

Crystal Property Description (2) Colour & Other Comment (Crystal References Properties Property Description) blue

C6H6, ether or ni- Funk, H.; Mohaupt, G.; Paul, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie; triles vol. 302; (1959); p. 199 - 210, View in Reaxys; vol. V: MVol.B2; 193, page 783 - 784 ; (from Gmelin), View in Reaxys

blueblack

Funk, H.; Mohaupt, G.; Paul, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 302; (1959); p. 199 - 210, View in Reaxys; vol. V: MVol.B2; 193, page 783 - 784 ; (from Gmelin), View in Reaxys

Solubility (MCS) (1) 1 of 1

Comment (Solubility (MCS))

soluble in C6H6, ether and nitriles;

Funk, H.; Mohaupt, G.; Paul, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 302; (1959); p. 199 - 210, View in Reaxys; vol. V: MVol.B2; 193, page 783 - 784 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling

References

very sensitive to moisture;

Funk, H.; Mohaupt, G.; Paul, A.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 302; (1959); p.

199 - 210, View in Reaxys; vol. V: MVol.B2; 193, page 783 - 784 ; (from Gmelin), View in Reaxys

Reaxys ID 3741502 View in Reaxys

Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

25/77

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Chemical Name: vanadium (V) oxide chloride * 2 benzylcyanide; Vanadium(V)-Oxidchlorid * 2 Benzylcyanid Linear Structure Formula: VOCl3*2C6H5CH2CN Molecular Formula: 2C8H7N*Cl3OV Molecular Weight: 407.6 Type of Substance: isocyclic InChI Key: GTNWFBOXIPGDBT-UHFFFAOYSA-K Note:

Cl 2

(v5)

N

V Cl

Cl

O

Crystal Phase (1) Description (Crys- References tal Phase) needles

Funk, H.; Weiss, W.; Zeising, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 296; (1958); p.

36 - 45, View in Reaxys; vol. V: MVol.B2; 209, page 817 - 819 ; (from Gmelin), View in Reaxys

Crystal Property Description (1) Colour & Other References Properties black

Funk, H.; Weiss, W.; Zeising, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 296; (1958); p.

36 - 45, View in Reaxys; vol. V: MVol.B2; 209, page 817 - 819 ; (from Gmelin), View in Reaxys

Use (1) Laboratory Use and Handling

References

sensitive to moisture;

Funk, H.; Weiss, W.; Zeising, M.; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 296; (1958); p.

36 - 45, View in Reaxys; vol. V: MVol.B2; 209, page 817 - 819 ; (from Gmelin), View in Reaxys

Reaxys ID 5665839 View in Reaxys N

C–

26/77 (2)HN(1-)*Li(1+)

Linear Structure Formula: C8H5 Molecular Formula: C8H6N*Li Molecular Weight: 124.075 Type of Substance: isocyclic InChI Key: SOIITMWYFLHDPF-FNZLVDGMSA-N Note:

Li+

2H

Association (MCS) (2) 1 of 2

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

tetrahydrofuran; hexane

Comment (Association (MCS))

Ratio of solvents: THF:hexane=65:35

Partner (Association (MCS))

n-butyllithium

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 2 of 2

Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))

tetrahydrofuran; hexane

Comment (Association (MCS))

Ratio of solvents: THF:hexane=65:35

Partner (Association (MCS))

n-butyllithium

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys IR Spectroscopy (2)

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1 of 2

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

various solvents

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys 2 of 2

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

various solvents

Corset, Jacques; Castella-Ventura, Martine; Froment, Francoise; Strzalko, Tekla; Wartski, Lya; Journal of Organic Chemistry; vol. 68; nb. 10; (2003); p. 3902 - 3911, View in Reaxys

Reaxys ID 8171587 View in Reaxys

N

27/77

N

N

N

N

Chemical Name: tetracyanobenzene and benzyl cyanide adduct (1:2) Linear Structure Formula: C10H2N4*2C8H7N Molecular Formula: 2C8H7N*C10H2N4 Molecular Weight: 412.453 Type of Substance: isocyclic InChI Key: KJINSCCNMDBXAC-UHFFFAOYSA-N Note:

2

Substance Label (2) Label References TCNB*BzCN

Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys

1

Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys

Density (1) 1 of 1

Density [g·cm-3]

1.238

Type (Density)

crystallographic

Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys Crystal Phase (2) Description (Crys- References tal Phase) Crystal structure determination; Interplanar spacing

Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys

Crystal structure determination

Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys

Crystal System (1) Crystal System References triclinic

Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disMethod of detertances and angles mination: Single

Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Ito, Yoshikatsu; Nakabaya-

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crystal X-ray diffraction Space Group (1) Space Group 2

shi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p.

7139 - 7152, View in Reaxys

References Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys; Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys UV/VIS Spectroscopy (2) 1 of 2

Solvent (UV/VIS Spectroscopy)

solid

Absorption Maxima (UV/ 367 VIS) [nm] Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys 2 of 2

Description (UV/VIS Spectroscopy)

Reflection spectrum

Ito, Yoshikatsu; Endo, Sotaro; Ohba, Shigeru; Journal of the American Chemical Society; vol. 119; nb. 25; (1997); p. 5974 - 5975, View in Reaxys

Reaxys ID 16470938 View in Reaxys H2 C

N

28/77 Linear Structure Formula: (C6H5)CH2CN*BBr3 Molecular Formula: BBr3*C8H7N Molecular Weight: 367.673 InChI Key: SHCDANKTKASSDO-UHFFFAOYSA-N Note:

Br B

Br

Br

Reaxys ID 16974065 View in Reaxys

29/77 Chemical Name: copper(I) chloride * 2 phenyl acetonitrile; Kupfer(I)-chlorid * 2 Phenylessigsaeurenitril Linear Structure Formula: CuCl*2C6H5CH2CN Molecular Formula: 2C8H7N*ClCu Molecular Weight: 333.3 InChI Key: BCSBAKCDZVTJBW-UHFFFAOYSA-N Note:

N 2

ClCu

Crystal Property Description (1) Colour & Other References Properties white

Rabaut, C.; Bulletin de la Societe Chimique de France; vol. 19; (1898); p. 785 - 788, View in Reaxys; vol. Cu: MVol.B1; 111, page 242 - 244 ; (from Gmelin), View in Reaxys

Solubility (MCS) (1) 1 of 1

Comment (Solubility (MCS))

insol. in H2O and neutral solvents;

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Rabaut, C.; Bulletin de la Societe Chimique de France; vol. 19; (1898); p. 785 - 788, View in Reaxys; vol. Cu: MVol.B1; 111, page 242 - 244 ; (from Gmelin), View in Reaxys

Reaxys ID 17065663 View in Reaxys

2

30/77 Linear Structure Formula: Rh(3+)*3Cl(1-)*2C6H5CH2CN Molecular Formula: 2C8H7N*3Cl*Rh Molecular Weight: 443.565 Type of Substance: Coordination compound InChI Key: WIWAANLYTHWIGI-UHFFFAOYSA-M Note:

3 – Rh 3+ Cl

N

Reaxys ID 17767764 View in Reaxys

31/77 CAS Registry Number: 176716-18-0; 70084-14-9 Linear Structure Formula: NbCl5*C6H5CH2CN Molecular Formula: C8H7N*Cl5Nb Molecular Weight: 387.322 Type of Substance: Coordination compound InChI Key: NNUNXMSOJLMQOP-UHFFFAOYSA-I Note:

Cl

Cl

(v5)

N

Cl Nb Cl Cl

Crystal Property Description (1) Colour & Other References Properties brown

Lee, G. Robert; Crayston, Joe A.; Polyhedron; vol. 15; nb. 11; (1996); p. 1817 - 1821 ; (from Gmelin), View in Reaxys

NMR Spectroscopy (1) 1 of 1

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- not given scopy) Comment (NMR Spectroscopy)

Signals given

Lee, G. Robert; Crayston, Joe A.; Polyhedron; vol. 15; nb. 11; (1996); p. 1817 - 1821 ; (from Gmelin), View in Reaxys NQR Spectroscopy (3) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)

References

35Cl

Kuz'min, A. I.; Chizhikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Kuznetsov, S. I.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 77 - 80; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 150 - 154 ; (from Gmelin), View in Reaxys

37Cl

Kuz'min, A. I.; Chizhikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Kuznetsov, S. I.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 77 - 80; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 150 - 154 ; (from Gmelin), View in Reaxys

Nuclear quadru93Nb pole coupling constants

Kuz'min, A. I.; Chizhikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Kuznetsov, S. I.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 77 - 80; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 150 - 154 ; (from Gmelin), View in Reaxys

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Reaxys ID 1938581 View in Reaxys

32/77 CAS Registry Number: 6726-74-5 Chemical Name: [3-3 H]phenyl-acetonitrile; Phenyl-3-3H-acetonitril Linear Structure Formula: C8H6TN Molecular Formula: C8H7N Molecular Weight: 119.142 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-FUPOQFPWSA-N Note:

N

3H

Boiling Point (1) Boiling Point [°C] 86 - 87

Pressure (Boiling Point) [Torr]

References

7

Blackburn; Burghard; Journal of Labelled Compounds; vol. 2; (1966); p. 62,66, View in Reaxys

Reaxys ID 3710932 View in Reaxys

33/77 Chemical Name: phenyl-acetonitrile; compound with boron trifluoride; Phenyl-acetonitril; Verbindung mit Bortrifluorid Linear Structure Formula: C8H7N*BF3 Molecular Formula: BF3*C8H7N Molecular Weight: 184.956 Type of Substance: isocyclic InChI Key: DWFJJILIBKWOOO-UHFFFAOYSA-N Note:

N F

F B F

Reaxys ID 3725086 View in Reaxys

34/77 Chemical Name: phenyl-acetonitrile; compound with TiCl4; Phenyl-acetonitril; Verbindung mit TiCl4 Linear Structure Formula: 2C8H7N*Cl4Ti Molecular Formula: 2C8H7N*Cl4Ti Molecular Weight: 423.993 Type of Substance: isocyclic InChI Key: IBLISCLZKUXPFW-UHFFFAOYSA-J Note:

Cl 2

N

(v4)

Ti Cl

Cl Cl

Melting Point (1) 1 of 1

Melting Point [°C]

153.5

Perrot; Devin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772, View in Reaxys Crystal Property Description (1) Colour & Other References Properties gelb

Perrot; Devin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772, View in Reaxys

Reaxys ID 3725214 View in Reaxys

35/77 Chemical Name: phenyl-acetonitrile; compound with ZrCl4; Phenyl-acetonitril; Verbindung mit ZrCl4 Linear Structure Formula: 2C8H7N*Cl4Zr Molecular Formula: 2C8H7N*Cl4Zr

Cl 2

N

(v4)

Cl

Zr Cl Cl

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Molecular Weight: 467.337 Type of Substance: isocyclic InChI Key: MDZWTMZZFBDIPX-UHFFFAOYSA-J Note: Melting Point (1) 1 of 1

Comment (Melting Point) Decomposition.at:140 degreeC. Perrot; Devin; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 772, View in Reaxys

Reaxys ID 4020112 View in Reaxys

36/77 Linear Structure Formula: C8H7N*CF3I Molecular Formula: CF3I*C8H7N Molecular Weight: 313.061 Type of Substance: isocyclic InChI Key: ICHWHDRTLVDBTK-UHFFFAOYSA-N Note:

N F

F

I

F

Substance Label (1) Label References CF3I*D

Spaziante; Gutmann; Inorganica Chimica Acta; vol. 5; nb. C; (1971); p. 273 - 275, View in Reaxys

NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)

19F

Spaziante; Gutmann; Inorganica Chimica Acta; vol. 5; nb. C; (1971); p. 273 - 275, View in Reaxys

Reaxys ID 4035964 View in Reaxys

37/77 Linear Structure Formula: C8H7N*CH3AlCl2 Molecular Formula: CH3AlCl2*C8H7N Molecular Weight: 230.073 Type of Substance: isocyclic InChI Key: WRUUOGAYFZHNJH-UHFFFAOYSA-L Note:

N Cl

Cl Al

Substance Label (1) Label References Komplex 1

Pasynkiewicz et al.; Justus Liebigs Annalen der Chemie; (1975); p. 636,640, View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

IR

Pasynkiewicz et al.; Justus Liebigs Annalen der Chemie; (1975); p. 636,640, View in Reaxys

Reaxys ID 4039495 View in Reaxys N

38/77 Linear Structure Formula: C12H27BS*C8H7N Molecular Formula: C8H7N*C12H27BS Molecular Weight: 331.374 Type of Substance: isocyclic InChI Key: ZTXLUUGCHOBPHM-UHFFFAOYSA-N Note:

S B

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Substance Label (1) Label References Komplex VIII

Mukaiyama,T. et al.; Tetrahedron Letters; (1971); p. 1097 - 1100, View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

IR

Mukaiyama,T. et al.; Tetrahedron Letters; (1971); p. 1097 - 1100, View in Reaxys

Reaxys ID 4347859 View in Reaxys

CAS Registry Number: 131354-98-8 Linear Structure Formula: C33H31NO6*C8H7N Molecular Formula: C8H7N*C33H31NO6 Molecular Weight: 654.763 Type of Substance: heterocyclic InChI Key: XOTJCIFSBXEGCO-UHFFFAOYSA-N Note:

N

O

N

39/77

O

O

O

O

O

Reaxys ID 4935093 View in Reaxys

40/77 Chemical Name: phenyl-acetonitrile; compound with beryllium chloride; Phenyl-acetonitril; Verbindung mit Beryllium-chlorid Linear Structure Formula: 2C8H7N*BeCl2 Molecular Formula: 2C8H7N*BeCl2 Molecular Weight: 314.219 Type of Substance: isocyclic InChI Key: LWDUCBHKYDRULT-UHFFFAOYSA-N Note:

N

2

BeCl 2

Melting Point (1) 1 of 1

Melting Point [°C]

151.5

Fricke; Roebke; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 33, View in Reaxys Crystal Property Description (1) Colour & Other References Properties Nadeln

Fricke; Roebke; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 33, View in Reaxys

Liquid/Solid Systems (MCS) (1) 1 of 1

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

-31

Partner (Liquid/Solid Systems (MCS))

phenylacetonitrile

Fricke; Roebke; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 33, View in Reaxys

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Reaxys ID 5474558 View in Reaxys

41/77

O

CAS Registry Number: 140149-25-3 Linear Structure Formula: C56H38O6*3C8H7N Molecular Formula: 3C8H7N*C56H38O6 Molecular Weight: 1158.36 Type of Substance: heterocyclic InChI Key: OXKMKQBLNAMQHR-UHFFFAOYSA-N Note:

O

O

N 3

O

O

O

Substance Label (1) Label References 4*3BlzCN

Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys

Density (1) 1 of 1

Density [g·cm-3]

1.235

Type (Density)

crystallographic

Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys Crystal Phase (1) Description (Crys- Comment (Crystal References tal Phase) Phase) Crystal structure determination

β=91.3 grad, Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; a=12.95 Ang(1992); p. 1687 - 1696, View in Reaxys stroem, b=17.34 Angstroem, c=27.76 Angstroem, n=4.; Temperature: 193 K. Method of determination: Single Crystal X-ray Diffraction

Crystal System (1) Crystal System References monoclinic

Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys

Interatomic Distances and Angles (1) Description References Interatomic disBerscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, tances and angles View in Reaxys Space Group (1) Space Group 14

References Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys

IR Spectroscopy (2) 1 of 2

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

2400 - 2000 cm**(-1)

Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys

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2 of 2

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

2250 - 731 cm**(-1)

Berscheid, Ralf; Nieger, Martin; Voegtle, Fritz; Chemische Berichte; vol. 125; nb. 7; (1992); p. 1687 - 1696, View in Reaxys

Reaxys ID 5510297 View in Reaxys 1

42/77 CAS Registry Number: 140-29-4 Linear Structure Formula: C8H7N(1+) Molecular Formula: C8H7N Molecular Weight: 117.15 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-UHFFFAOYSA-N Note:

1 N

Substance Label (1) Label References 15, Radikalkation

Rudenko, A.P.; Sarubin, M.Ja.; Journal fuer Praktische Chemie (Leipzig); vol. 325; nb. 3; (1983); p. 405 - 416, View in Reaxys

Reaxys ID 5697947 View in Reaxys

43/77 Linear Structure Formula: C8H6 (2)HN*C6H14N(1-)*Li(1+) Molecular Formula: C6H14N*C8H7N*Li Molecular Weight: 225.267 Type of Substance: isocyclic InChI Key: PUPQQAAQATZFQW-VCTVCYILSA-N Note:

N

Li+ N–

2H

Substance Label (1) Label References 5*LDA

Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys

Reaxys ID 5713232 View in Reaxys 2

N

CH –

44/77 Linear Structure Formula: C8H6N(1-)*2C6H16N2*C6H14N(1-)*2Li(1+) Molecular Formula: C6H14N*2C6H16N2*C8H6N*2Li Molecular Weight: 462.621 Type of Substance: isocyclic InChI Key: RZCIXCSVACUGMA-UHFFFAOYSA-N Note:

N N

N– 2 Li+

Substance Label (1) Label References 4*LDA*2TMDA

Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys

Density (1)

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1 of 1

Density [g·cm-3]

0.972

Type (Density)

crystallographic

Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys Crystal Phase (1) Description (Crys- Comment (Crystal References tal Phase) Phase) Crystal structure determination

α=77.2 grad, Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte β=73.5 grad, Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys χ=87.2 grad, a=9.97 Angstroem, b=11.97 Angstroem, c=14.17 Angstroem, n=2.; Temperature: -10 C. Method of determination: X-ray Diffraction

Crystal System (1) Crystal System References triclinic

Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys

Interatomic Distances and Angles (1) Description References Interatomic disZarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; tances and angles (1989); p. 1424 - 1425, View in Reaxys Space Group (1) Space Group 2

References Zarges, Wolfgang; Marsch, Michael; Harms, Klaus; Boche, Gernot; Angewandte Chemie; vol. 101; nb. 10; (1989); p. 1424 - 1425, View in Reaxys

Reaxys ID 6886984 View in Reaxys

45/77 O

H

Linear Structure Formula: C18H14O4*C8H7N Molecular Formula: C8H7N*C18H14O4 Molecular Weight: 411.457 Type of Substance: isocyclic InChI Key: WNAKQDDBWPPWNV-AEHWYBPMSA-N Note:

OH

T-4 N

OH

H T-4 O racemate

Substance Label (1) Label References 1*PhCH2CN

Czugler, Matyas; Weber, Edwin; Ahrendt, Jochen; Journal of the Chemical Society, Chemical Communications; nb. 24; (1984); p. 1632 - 1634, View in Reaxys

Decomposition (1) 1 of 1

Decomposition [°C]

195 - 200

Czugler, Matyas; Weber, Edwin; Ahrendt, Jochen; Journal of the Chemical Society, Chemical Communications; nb.

24; (1984); p. 1632 - 1634, View in Reaxys

Reaxys ID 6886996 View in Reaxys

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46/77

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Linear Structure Formula: C18H14O4*2C8H7N Molecular Formula: 2C8H7N*C18H14O4 Molecular Weight: 528.607 Type of Substance: isocyclic InChI Key: WNAKQDDBWPPWNV-HHUWWSNMSA-N Note:

O H

OH

T-4 2

N

H

OH

T-4 O

Substance Label (1) Label References 2*2(PhCH2CN)

Czugler, Matyas; Weber, Edwin; Ahrendt, Jochen; Journal of the Chemical Society, Chemical Communications; nb. 24; (1984); p. 1632 - 1634, View in Reaxys

Decomposition (1) 1 of 1

Decomposition [°C]

185 - 200

Czugler, Matyas; Weber, Edwin; Ahrendt, Jochen; Journal of the Chemical Society, Chemical Communications; nb.

24; (1984); p. 1632 - 1634, View in Reaxys

Reaxys ID 7618735 View in Reaxys

47/77 O

Linear Structure Formula: C56H38O6*C8H7N Molecular Formula: C8H7N*C56H38O6 Molecular Weight: 924.064 Type of Substance: heterocyclic InChI Key: OXKMKQBLNAMQHR-UHFFFAOYSA-N Note:

O

O

N O

O

O

Crystal Phase (1) Description (Crys- References tal Phase) Crystal structure determination

Voegtle, Fritz; Michel, Ingo; Berscheid, Ralf; Nieger, Martin; Rissanen, Kari; Kotila, Sirpa; Airola, Karri; Armaroli, Nicola; Maestri, Mauro; Balzani, Vincenzo; Liebigs Annales; nb. 11; (1996); p. 1697 - 1704, View in Reaxys

Interatomic Distances and Angles (1) Description References Interatomic disVoegtle, Fritz; Michel, Ingo; Berscheid, Ralf; Nieger, Martin; Rissanen, Kari; Kotila, Sirpa; Airola, Karri; tances and angles Armaroli, Nicola; Maestri, Mauro; Balzani, Vincenzo; Liebigs Annales; nb. 11; (1996); p. 1697 - 1704, View in Reaxys

Reaxys ID 8400564 View in Reaxys

48/77 Chemical Name: Guaiacol; phenylacetonitrile; phenol; mixture of; 15 : 100 : 35 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; 2-methoxyphenol; phenol Note:

No Structure

Ecotoxicology (1) 1 of 1

Effect (Ecotoxicology)

behavioral symtoms

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Species or Test-System (Ecotoxicology)

Schistocerca gregaria (Forskal), Acrididae

Concentration (Ecotoxicology)

37.5 - 600 ng

Exposure Period (Ecotoxicology)

15 min

Method (Ecotoxicology)

glass olfactometer; fifth instar nymphs, 3-5 d after molt; young adults, 4-10 d after molt; older adults, 18-25 d after molt

Results

aggregation index; dose-response relationship

Obeng-Ofori; Torto; Njagi; Hassanali; Amiani; Journal of Chemical Ecology; vol. 20; nb. 8; (1994); p. 2077 - 2087, View in Reaxys

Reaxys ID 8400640 View in Reaxys

49/77 Chemical Name: cis-3-Hexenyl acetate; benzaldehyde; phenylacetaldehyde; alcohols, 2; phenylacetonitrile; benzyl benzoate; mixture of; ratio 4 : 8 : 14 : 8 : 19 : 11 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetaldehyde; phenylacetonitrile; benzaldehyde; (Z)-3-hexenyl acetate; benzoic acid benzyl ester; Alcohols, 2; mixture of Note:

No Structure

Ecotoxicology (1) 1 of 1

Effect (Ecotoxicology)

behavioral symtoms

Endpoint of Effect (Ecotoxicology)

attraction

Species or Test-System (Ecotoxicology)

Anomala octiescostata, scarab beetle

Concentration (Ecotoxicology)

500 mg/trap

Method (Ecotoxicology)

field assay; funnel JT trap; May 3-9, 1993; Edosaki Country Club, Ibaraki, Japan

Results

ca. 100 beetles/trap/day

Leal; Ono; Hasegawa; Sawada; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1697 - 1704, View in Reaxys

Reaxys ID 8400659 View in Reaxys

50/77 Chemical Name: Phenylacetonitrile; benzaldehyde; guaiacol; phenol; mixture of; ratio 100 : 15 : 4 : 4 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; benzaldehyde; 2-methoxy-phenol; phenol Note:

No Structure

Substance Label (1) Label References PA+BA+GA+PN

Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys

Ecotoxicology (1) 1 of 1

Effect (Ecotoxicology)

behavioral symtoms

Endpoint of Effect (Ecotoxicology)

aggregation

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Species or Test-System (Ecotoxicology)

Schistocerca gregaria (Forksal), desert locust

Sex

male and female

Concentration (Ecotoxicology)

25 - 250 LH

Method (Ecotoxicology)

older adults, 18-25 days after molt; young adults, 4-10 days after molt; fifth instar nymphs, 3-5 days after molt; glass olfactometer

Further Details (Ecotoxi- 1 LH - volatiles emitted by one locust for 1 hour cology) Results

aggregation index (mean over dose range): young 69, older 69; no effect from fifth instar nymphs

Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys

Reaxys ID 8400660 View in Reaxys

51/77 Chemical Name: Phenylacetonitrile; guaiacol; phenol; mixture of; ratio 100 : 4 : 4 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; 2-methoxyphenol; phenol Note:

No Structure

Substance Label (1) Label References PA+GA+PN

Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys

Ecotoxicology (1) 1 of 1

Effect (Ecotoxicology)

behavioral symtoms

Endpoint of Effect (Ecotoxicology)

aggregation

Species or Test-System (Ecotoxicology)

Schistocerca gregaria (Forksal), desert locust

Sex

male and female

Concentration (Ecotoxicology)

25 - 250 LH

Method (Ecotoxicology)

older adults, 18-25 days after molt; young adults, 4-10 days after molt; fifth instar nymphs, 3-5 days after molt; glass olfactometer

Further Details (Ecotoxi- 1 LH - volatiles emitted by one locust for 1 hour cology) Results

aggregation index (mean over dose range): young 65, older 67; no effect from fifth instar nymphs

Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys

Reaxys ID 8400661 View in Reaxys

52/77 Chemical Name: Phenylacetonitrile; veratrole; anisole; mixture of; ratio 100 : 6 : 5 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; methoxybenzene; 1,2-dimethoxy-benzene

No Structure

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Note: Substance Label (1) Label References PA+VT+AS

Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys

Ecotoxicology (1) 1 of 1

Effect (Ecotoxicology)

behavioral symtoms

Endpoint of Effect (Ecotoxicology)

aggregation

Species or Test-System (Ecotoxicology)

Schistocerca gregaria (Forksal), desert locust

Sex

male and female

Concentration (Ecotoxicology)

25 - 250 LH

Method (Ecotoxicology)

older adults, 18-25 days after molt; young adults, 4-10 days after molt; fifth instar nymphs, 3-5 days after molt; glass olfactometer

Further Details (Ecotoxi- 1 LH - volatiles emitted by one locust for 1 hour cology) Results

aggregation index (mean over dose range): young 65, older 66; no effect from fifth instar nymphs

Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys

Reaxys ID 8400662 View in Reaxys

53/77 Chemical Name: Phenylacetonitrile; benzaldehyde; veratrole; anisole; guaiacol; phenol; mixture of; ratio 100 : 15 : 6 : 5 : 4 : 4 Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; benzaldehyde; methoxybenzene; 2-methoxy-phenol; phenol; 1,2-dimethoxybenzene Note:

No Structure

Substance Label (1) Label References PA+BA+VT+AS +GA+PN

Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys

Ecotoxicology (1) 1 of 1

Effect (Ecotoxicology)

behavioral symtoms

Endpoint of Effect (Ecotoxicology)

aggregation

Species or Test-System (Ecotoxicology)

Schistocerca gregaria (Forksal), desert locust

Sex

male and female

Concentration (Ecotoxicology)

25 - 250 LH

Method (Ecotoxicology)

older adults, 18-25 days after molt; young adults, 4-10 days after molt; fifth instar nymphs, 3-5 days after molt; glass olfactometer

Further Details (Ecotoxi- 1 LH - volatiles emitted by one locust for 1 hour cology) Results

aggregation index (mean over dose range): young 61, older 64; no effect from fifth instar nymphs; no significant difference between males and females

Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

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Torto, Baldwyn; Obeng-Ofori, Daniel; Njagi, Peter G. N.; Hassanali, Ahmed; Amiani, Habert; Journal of Chemical Ecology; vol. 20; nb. 7; (1994); p. 1749 - 1762, View in Reaxys

Reaxys ID 8476286 View in Reaxys

54/77 Chemical Name: synthetic blend Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetaldehyde; phenylacetonitrile; benzaldehyde; benzyl alcohol; 2-phenyl-ethanol Note:

No Structure

Ecotoxicology (1) 1 of 1

Effect (Ecotoxicology)

behavioral symtoms

Species or Test-System (Ecotoxicology)

Pieris rapae crucivora, cabbage butterfly

Sex

male and female

Concentration (Ecotoxicology)

25.3 μg

Kind of Dosing (Ecotoxi- title mixture prepared to approximate blend ratios of components found in Brassica rapa cology) extracts; dissolv. in CH2Cl2 Method (Ecotoxicology)

attraction to artificial flower test; adult butterflies; 50-ml Erlenmeyer flask filled with water; title mix. appled to paper towel put in flask; 2 treat. and 2 control flowers placed in exper. area; number of alightings followed by PER during 30 min

Further Details (Ecotoxi- flask covered with green paper; doughnut-shaped yellow filter paper disk held horizont. on cology) top of flask; PER= postalightment behavior; during assay postions of artif. flowers rotated every 10 min Results

title comp. signif. stimulated foraging

Omura, Hisashi; Honda, Keiichi; Hayashi, Nanao; Journal of Chemical Ecology; vol. 25; nb. 8; (1999); p. 1895 1906, View in Reaxys

Reaxys ID 8540612 View in Reaxys

55/77 Chemical Name: 2-Phenylethanol; 2-Phenylethyl isothiocyanate; Phenylacetonitrile; Methyl salicylate; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; 2-hydroxybenzoic acid methyl ester; 2-phenyl-ethanol; [14C]-Phenethyl isothiocyanate Note:

No Structure

Ecotoxicology (1) 1 of 1

Effect (Ecotoxicology)

pheromone activity

Species or Test-System (Ecotoxicology)

Ceutorhynchus assimilis (Paykull), cabbage seed weevil

Method (Ecotoxicology)

field experiments conducted on Rothamsted Farm, Harpenden; release rates (mg/day): 5 (2-phenylethyl isothiocyanate), 6 (2-phenylethanol), 7 (phenylacetonitrile), 35 (methyl salicylate); yellow water bowl traps

Further Details (Ecotoxi- compound found in oilseed rape odor (Brassica napus); exp. B: June 1-27, 1994 (6 replicology) cates) Results

mean C. assimilis caught per replicate: 15.9 (unbaited control: 20.0)

Smart, Lesley E.; Blight, Margaret M.; Journal of Chemical Ecology; vol. 23; nb. 11; (1997); p. 2555 - 2567, View in Reaxys

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Reaxys ID 8735527 View in Reaxys

56/77 Linear Structure Formula: C10H2N4*2C8H5 (2)H2N Molecular Formula: 2C8H7N*C10H2N4 Molecular Weight: 416.421 Type of Substance: isocyclic InChI Key: KJINSCCNMDBXAC-SCBKJIDOSA-N Note:

N N

N

N

N

2H

2

2H

Substance Label (1) Label References TCNB*BzCN-d2

Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Ito, Yoshikatsu; Nakabayashi, Hironari; Ohba, Shigeru; Hosomi, Hiroyuki; Tetrahedron; vol. 56; nb. 37; (2000); p. 7139 - 7152, View in Reaxys

Reaxys ID 9189900 View in Reaxys

57/77

1

Linear Structure Formula: C8H7N Molecular Formula: C8H7N Molecular Weight: 117.15 Type of Substance: isocyclic InChI Key: SUSQOBVLVYHIEX-UHFFFAOYSA-N Note:

N

UV/VIS Spectroscopy (1) 1 of 1

Solvent (UV/VIS Spectroscopy)

benzene

Absorption Maxima (UV/ 470 VIS) [nm] Font-Sanchis, Enrique; Aliaga, Carolina; Focsaneanu; Scaiano; Chemical Communications; nb. 15; (2002); p. 1576 - 1577, View in Reaxys

Reaxys ID 9548577 View in Reaxys

58/77 Chemical Name: Lepidium meyenii essential oil Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetaldehyde; phenylacetonitrile; benzaldehyde; phenylmethanethiol; (thiocyanatomethyl)benzene; (3-Methoxy-phenyl)-acetonitrile Note:

No Structure

Ecotoxicology (6) 1 of 6

Effect (Ecotoxicology)

phytotoxicity

Species or Test-System (Ecotoxicology)

Lactuca sativa, lettuce

Kind of Dosing (Ecotoxi- title comp. dissolved in pentane; pentane allowed to evaporate on filter paper prior to adding cology) water to seeds Method (Ecotoxicology)

seeds exposed to title comp. in 24-well plates

Further Details (Ecotoxi- pentane used as control; cv. Iceberg of test plant cology)

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Comment (Ecotoxicology)

No effect

Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 2 of 6

Effect (Ecotoxicology)

phytotoxicity

Species or Test-System (Ecotoxicology)

Agrostis stolonifera, bentgrass

Kind of Dosing (Ecotoxi- title comp. dissolved in pentane; pentane allowed to evaporate on filter paper prior to adding cology) water to seeds Method (Ecotoxicology)

seeds exposed to title comp. in 24-well plates

Further Details (Ecotoxi- pentane used as control; cv. pencross of test plant cology) Comment (Ecotoxicology)

No effect

Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 3 of 6

Effect (Ecotoxicology)

insecticidal

Species or Test-System (Ecotoxicology)

Coptotermes formosanus, Formosan subterranean termite

Kind of Dosing (Ecotoxi- title comp. dissolved in acetone; 100 μl of solution (0.01-1.0 percent(w/w)) applied on filter cology) paper; acetone allowed to evaporate for several hours Method (Ecotoxicology)

filter paper disks placed in Petri dishes; 20 workers (3rd instar or greater) and 1 soldier added; Petri dishes maintained at 100 percent relat. humid, and 27 deg C; daily mortality eval. for 19 d

Further Details (Ecotoxi- paper disks receiving water alone served as control cology) Results

feeding deterrent at 1 percent conc.; mortality numerically but not signif. higher compared with untreated filter paper

Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 4 of 6

Effect (Ecotoxicology)

toxicity to bacteria

Species or Test-System (Ecotoxicology)

Oscillatoria perornata

Concentration (Ecotoxicology)

10 - 1000 mg/l

Kind of Dosing (Ecotoxi- title comp. dissolved in pentane cology) Method (Ecotoxicology)

bacterial growth assay by absorbance measurement

Type (Ecotoxicology)

LO(A)EC

Value of Type (Ecotoxicology)

100 mg/l

Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 5 of 6

Effect (Ecotoxicology)

toxicity to bacteria

Species or Test-System (Ecotoxicology)

Oscillatoria perornata

Concentration (Ecotoxicology)

10 - 1000 mg/l

Kind of Dosing (Ecotoxi- title comp. dissolved in pentane cology) Method (Ecotoxicology)

bacterial growth assay by absorbance measurement

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Further Details (Ecotoxi- LCIC: lowest complete inhibition concentration cology) Type (Ecotoxicology)

LCIC

Value of Type (Ecotoxicology)

100 mg/l

Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys 6 of 6

Effect (Ecotoxicology)

toxicity to bacteria

Species or Test-System (Ecotoxicology)

Selenastrum capricornutum

Concentration (Ecotoxicology)

10 - 1000 mg/l

Kind of Dosing (Ecotoxi- title comp. dissolved in pentane cology) Method (Ecotoxicology)

bacterial growth assay by absorbance measurement

Comment (Ecotoxicology)

No effect

Tellez, Mario R; Khan, Ikhlas A; Kobaisy, Mozaina; Schrader, Kevin K; Dayan, Franck E; Osbrink, Weste; Phytochemistry; vol. 61; nb. 2; (2002); p. 149 - 155, View in Reaxys

Reaxys ID 10150706 View in Reaxys

59/77 Chemical Name: Pseudocytisus integrifolius (Salisb.) Rehder subsp. glabrescens (Coss.) Lit. Et Maire, quecdir, el-kasdir, in the south of Tlemcen, western Algeria, aerial parts, March 2003; extract; steam distillation Type of Substance: mixture (composition partially given) Composition: Comp. Name: phenylacetonitrile; dimethyl tetrasulphide; 6,10,14-trimethyl-pentadecan-2-one; dimethyl-disulfide; dimethyl trisulphide; 1-cyano-3-butene Composition: Comp. Conc.: 0.5 vol percent; 0.7 vol percent; 0.6 vol percent; 33.4 vol percent; 24.2 vol percent; 31.7 vol percent Note:

No Structure

Substance Label (1) Label References EO

Bendimerad, Nassima; Taleb Bendiab, Sid Ahmed; Benabadji, Ahmed Bakir; Fernandez, Xavier; Valette, Laurent; Lizzani-Cuvelier, Louisette; Journal of Agricultural and Food Chemistry; vol. 53; nb. 8; (2005); p.

2947 - 2952, View in Reaxys

Pharmacological Data (4) 1 of 4

Comment (Pharmacological Data)

Bioactivities present

Bendimerad, Nassima; Taleb Bendiab, Sid Ahmed; Benabadji, Ahmed Bakir; Fernandez, Xavier; Valette, Laurent; Lizzani-Cuvelier, Louisette; Journal of Agricultural and Food Chemistry; vol. 53; nb. 8; (2005); p. 2947 - 2952, View in Reaxys 2 of 4

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Escherichia coli ATCC 25922

Concentration (Pharmacological Data)

12.5 - 100 percent v/v

Kind of Dosing (Pharma- each paper disk impregnated with 20 μl essential oil (100 percent v/v) or different dilutions cological Data) (50, 25, or 12.5 percent v/v) Method (Pharmacological Data)

paper-disk diffusion method; 6 mm paper disk placed on bacteria seeded Mueller-Hinton plates; 37 deg C; inhibitory zones around disks measured

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Further Details (Pharma- 10 μg/disk ampicillin, 15 μg/disk staphylomycin, and 100 μg/disk piperacillin used as refercological Data) ence comp.

Results

at 12.5/25/50/100 percent v/v title substances produced inhibition zone of 8/18/24/26 mm (vs. 17, 13, and 13 mm for ampicillin, staphylomycin, and piperacillin, respectively)

Bendimerad, Nassima; Taleb Bendiab, Sid Ahmed; Benabadji, Ahmed Bakir; Fernandez, Xavier; Valette, Laurent; Lizzani-Cuvelier, Louisette; Journal of Agricultural and Food Chemistry; vol. 53; nb. 8; (2005); p. 2947 - 2952, View in Reaxys 3 of 4

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Pseudomonas aeruginosa ATCC 27853

Concentration (Pharmacological Data)

12.5 - 100 percent v/v

Kind of Dosing (Pharma- each paper disk impregnated with 20 μl essential oil (100 percent v/v) or different dilutions cological Data) (50, 25, or 12.5 percent v/v) Method (Pharmacological Data)

paper-disk diffusion method; 6 mm paper disk placed on bacteria seeded Mueller-Hinton plates; 37 deg C; inhibitory zones around disks measured

Further Details (Pharma- 10 μg/disk ampicillin, 15 μg/disk staphylomycin, and 100 μg/disk piperacillin used as refercological Data) ence comp.

Results

at 12.5/25/50/100 percent v/v title substances produced inhibition zone of <=6/8/18/22 mm (vs. <=6, 13, and 20 mm for ampicillin, staphylomycin, and piperacillin, respectively)

Bendimerad, Nassima; Taleb Bendiab, Sid Ahmed; Benabadji, Ahmed Bakir; Fernandez, Xavier; Valette, Laurent; Lizzani-Cuvelier, Louisette; Journal of Agricultural and Food Chemistry; vol. 53; nb. 8; (2005); p. 2947 - 2952, View in Reaxys 4 of 4

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Staphylococcus aureus ATCC 25923

Concentration (Pharmacological Data)

12.5 - 100 percent v/v

Kind of Dosing (Pharma- each paper disk impregnated with 20 μl essential oil (100 percent v/v) or different dilutions cological Data) (50, 25, or 12.5 percent v/v) Method (Pharmacological Data)

paper-disk diffusion method; 6 mm paper disk placed on bacteria seeded Mueller-Hinton plates; 37 deg C; inhibitory zones around disks measured

Further Details (Pharma- 10 μg/disk ampicillin, 15 μg/disk staphylomycin, and 100 μg/disk piperacillin used as refercological Data) ence comp.

Comment (Pharmacological Data)

No effect

Bendimerad, Nassima; Taleb Bendiab, Sid Ahmed; Benabadji, Ahmed Bakir; Fernandez, Xavier; Valette, Laurent; Lizzani-Cuvelier, Louisette; Journal of Agricultural and Food Chemistry; vol. 53; nb. 8; (2005); p. 2947 - 2952, View in Reaxys

Reaxys ID 12706115 View in Reaxys

Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.

60/77

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Chemical Name: Trimethylammonium phenyl acetonitrile p-dodecyl benzene sulphonate Linear Structure Formula: C3H9N*C8H7N*C18H30O3S Molecular Formula: C3H9N*C8H7N*C18H30O3S Molecular Weight: 502.762 InChI Key: SWNDKNSGMIPRQP-UHFFFAOYSA-N Note:

O HO

S O N

N

NMR Spectroscopy (1) 1 of 1

Solvents (NMR Spectro- CDCl3 trioxan scopy) Original Text (NMR Spectroscopy)

NMR assay (CDCl3, trioxan) 99percent (σ, CDCl3) 0.7-1.7 (complex unresolved, 24H, C12 H25), STR13 3.55 (s, 9H, (CH3)3 N+), 6.85 (s, IH, N--CH), 7.15 (d, 2H, ArH, 7.5 (d, 2H, ArH) 7.6 (d, IH, ArH), 7.8 (2d, 4H, ArH) ppm

Comment (NMR Spectroscopy)

Signals given

Signals [ppm]

99; 0.7 - 1.7

Kind of signal

σ, CDCl&3%; complex unresolved, 24H, C&12% H&25%

Patent; Lever Brothers Company, Division of Conopco, Inc.; US5281361; (1994); (A1) English, View in Reaxys

Reaxys ID 16074433 View in Reaxys

61/77 CAS Registry Number: 157410-42-9 Linear Structure Formula: C6H5CH2CN*SbCl5 Molecular Formula: C8H7N*Cl5Sb Molecular Weight: 416.165 Type of Substance: Coordination compound InChI Key: CHGJBAJMJCBNOD-UHFFFAOYSA-I Note:

Cl N Cl

Cl Sb Cl Cl

NQR Spectroscopy (2) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)

References

35Cl

Semin, G. K.; Kuznetsov, S. I.; Raevsky, A. M.; Bryukhova, E. V.; Zeitschrift fuer Naturforschung, A: Physical Sciences; vol. 49; (1994); p. 630 - 634 ; (from Gmelin), View in Reaxys

Nuclear quadru121Sb pole coupling constants

Semin, G. K.; Kuznetsov, S. I.; Raevsky, A. M.; Bryukhova, E. V.; Zeitschrift fuer Naturforschung, A: Physical Sciences; vol. 49; (1994); p. 630 - 634 ; (from Gmelin), View in Reaxys

Reaxys ID 16382311 View in Reaxys

62/77 CAS Registry Number: 70100-50-4 Linear Structure Formula: TaCl5*C6H5CH2CN Molecular Formula: C8H7N*Cl5Ta Molecular Weight: 475.363 Type of Substance: Coordination compound InChI Key: YYYALFIEVLXQGZ-UHFFFAOYSA-I Note:

Cl

N

(v5)

Cl

Ta

Cl Cl

Cl

NQR Spectroscopy (3) Description (NQR Nucleus (NQR Spectroscopy) Spectroscopy)

References

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35Cl

Kuz'min, A. I.; Kuznetsov, S. I.; Chishikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 80 - 82; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 155 - 159 ; (from Gmelin), View in Reaxys

37Cl

Kuz'min, A. I.; Kuznetsov, S. I.; Chishikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 80 - 82; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 155 - 159 ; (from Gmelin), View in Reaxys

Nuclear quadru181Ta pole coupling constants

Kuz'min, A. I.; Kuznetsov, S. I.; Chishikova, S. M.; Denisova, G. M.; Zviadadze, G. N.; Dzevitskii, B. E.; Russian Journal of Physical Chemistry (Translation of Zhurnal Fizicheskoi Khimii); vol. 53; (1979); p. 80 - 82; Zhurnal Fizicheskoi Khimii; vol. 53; (1979); p. 155 - 159 ; (from Gmelin), View in Reaxys

Reaxys ID 16793200 View in Reaxys

63/77 Linear Structure Formula: Ag(1+)*NO3 (1-)=AgNO3#C6H5CH2CN#H2O Type of Substance: mixture (composition partially given) Composition: Comp. Name: silver nitrate; phenylacetonitrile; water Note:

No Structure

Density (1) 1 of 1

Density [g·cm-3]

1.332 - 1.773

Measurement Tempera- 30 ture [°C] Comment (Density)

depending on mole ratios; Liquid

Das, Surjya P.; Wittekopf, Burghard; Weil, Konrad G.; Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 43; (1988); p. 977 - 982 ; (from Gmelin), View in Reaxys Dynamic Viscosity (1) Dynamic Viscosity Temperature (Dy- Comment (Dy[P] namic Viscosity) namic Viscosity) [°C] 0.1058 - 0.9893

30

References

depending on Das, Surjya P.; Wittekopf, Burghard; Weil, Konrad G.; Zeitschrift mole ratios; Liquid fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 43; (1988); p. 977 - 982 ; (from Gmelin), View in Reaxys

Liquid/Solid Systems (MCS) (1) 1 of 1

Description (Liquid/Solid Melting diagram Systems (MCS)) Das, Surjya P.; Wittekopf, Burghard; Weil, Konrad G.; Zeitschrift fuer Naturforschung, Teil A: Physik, Physikalische Chemie, Kosmophysik; vol. 43; (1988); p. 977 - 982 ; (from Gmelin), View in Reaxys

Reaxys ID 17046022 View in Reaxys

64/77 Linear Structure Formula: 2C6H5CHCN(1-)*Ni(2+)*HCON(CH3)2=(NCCHC6H5)2NiHCON(CH3)2 Molecular Formula: C3H7NO*2C8H6N*Ni Molecular Weight: 364.069 Type of Substance: Coordination compound InChI Key: ICCBHWOCRFMCDT-UHFFFAOYSA-N Note:

(v3)

2

C–

N

Ni 2+

(v4)

O

N

Solubility (MCS) (1) 1 of 1

Comment (Solubility (MCS))

insol. in organic solvents

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Bukhtiarov, A. V.; Kudryavtsev, Yu. G.; Lebedev, A. V.; Golyshin, V. N.; Mikheev, V. V.; Rodnikov, I. A.; Journal of General Chemistry USSR (English Translation); vol. 60; (1990); p. 1189 - 1192; Zhurnal Obshchei Khimii; vol. 60; (1990); p. 1329 - 1332 ; (from Gmelin), View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

mineral oil

Comment (IR Spectroscopy)

1660 cm**-1 - 2140 cm**-1

Bukhtiarov, A. V.; Kudryavtsev, Yu. G.; Lebedev, A. V.; Golyshin, V. N.; Mikheev, V. V.; Rodnikov, I. A.; Journal of General Chemistry USSR (English Translation); vol. 60; (1990); p. 1189 - 1192; Zhurnal Obshchei Khimii; vol. 60; (1990); p. 1329 - 1332 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling

References

readily hydrolyzed Bukhtiarov, A. V.; Kudryavtsev, Yu. G.; Lebedev, A. V.; Golyshin, V. N.; Mikheev, V. V.; Rodnikov, I. A.; by atmospheric Journal of General Chemistry USSR (English Translation); vol. 60; (1990); p. 1189 - 1192; Zhurnal Obshchei moisture Khimii; vol. 60; (1990); p. 1329 - 1332 ; (from Gmelin), View in Reaxys

Reaxys ID 17767954 View in Reaxys

65/77 CAS Registry Number: 176716-19-1 Linear Structure Formula: Nb(OH)Cl4*C6H5CH2CN Molecular Formula: C8H7N*Cl4HNbO Molecular Weight: 368.876 InChI Key: PQCIXIGHKHUFHB-UHFFFAOYSA-I Note:

(v2)

OH –

(v1)

–Cl

(v5)

–

(v1)

Cl Nb 5+ Cl – (v1)

N

Cl – (v1)

NMR Spectroscopy (1) 1 of 1

Nucleus (NMR Spectroscopy)

1H

Solvents (NMR Spectro- CD3CN scopy) Comment (NMR Spectroscopy)

Signals given

Lee, G. Robert; Crayston, Joe A.; Polyhedron; vol. 15; nb. 11; (1996); p. 1817 - 1821 ; (from Gmelin), View in Reaxys

Reaxys ID 17802639 View in Reaxys

66/77

O

O–

O–

O

Chemical Name: α-β''-(bis(ethylenedithio)tetrathiafulvalene)4(ammonia)(tris(oxalato)gallate(III))*C6H5CH2CN Linear Structure Formula: Ga(3+)*NH4 (1+)*2(CS C S C H )2(1+)*2(CS C S C H )2*3C O 2 2 2 2 4 2 2 2 2 4 2 4 (2-)*C H CH CN=((CS C S C H )2)4(NH ) 6 5 2 2 2 2 2 4 4 (Ga(C2O4)3)*C6H5CH2CN Molecular Formula: 3C2O4*C8H7N*2C10H8S8*2C10H8S8*Ga*H4N Molecular Weight: 2007.78 Type of Substance: Coordination compound InChI Key: BFWYMAHNNABQKP-UHFFFAOYSA-M Note:

3

N

2

2

S S

S S C C+ S S

S

S

S

S

S

S

S

S

S Ga 3+ S

H

N+ H

H

H

Conformation (1)

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Object of Investigation

References

Conformation

Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys

Crystal Phase (3) Description (Crys- References tal Phase) plates

Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys

Structure of the solid

Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys

Single Crystal Xray Diffraction

Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys

Crystal Property Description (1) Colour & Other References Properties dark brown

Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys

Crystal System (1) Crystal System References Triclinic

Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys

Electrical Data (3) 1 of 3

Description (Electrical Data)

Electrical conduction mechanism

Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys 2 of 3

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/ cm]

0.24 - 1.34

Temperature of Electric Conductivity [°C]

26.84

Comment (Electrical Da- along (210) ta) Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys 3 of 3

Description (Electrical Data)

Electrical conductivity

Electric Conductivity [S/ cm]

0.24

Temperature of Electric Conductivity [°C]

26.84

Comment (Electrical Da- along (11(-)1) ta) Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys Space Group (1)

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Space Group

Comment (Space Group)

References

2

a = 9.824 AngAkutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; stroem, b = 11.196 Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Angstroem, c = Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys 37.88 Angstroem, α = 81.469, β = 87.657, γ = 64.362; Z = 2; T = 298 K; atomic positions available

Raman Spectroscopy (1) Description (Ram- References an Spectroscopy) Raman

Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys

Quantum Chemical Calculations (1) Calculated Prop- Method (Quantum References erties Chemical Calculations) Band structure; Electron distribution

Empirical methods

Akutsu, Hiroki; Akutsu-Sato, Akane; Turner, Scott S.; Day, Peter; Canadell, Enric; Firth, Steven; Clark, Robin J. H.; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Chemical Communications; nb. 1; (2004); p. 18 - 19 ; (from Gmelin), View in Reaxys

Reaxys ID 17918562 View in Reaxys

67/77

Au+

1.5

Chemical Name: ([AuAg(1-methyl-3-(2-pyridinyl)imidazol-2-ylidene)2(NCCH2Ph)](BF4)2)(n)*PhCH2CN Linear Structure Formula: Au(1+)*Ag(1+)*2CH3C3H2N2C5H4N*1.5NCCH2C6H5*2BF4 (1-)=[AgAu(CH C H N C H N)2(NCCH C H )] 3 3 2 2 5 4 2 6 5 (BF4)2*0.5C6H5CH2CN Molecular Formula: Ag*Au*2BF4*C8H7N*2C9H9N3 Molecular Weight: 972.55 Type of Substance: Coordination compound InChI Key: JDTUZUPWYDMEHF-UHFFFAOYSA-N Note:

N Ag+ (v1) F–

2

2

(v4)

–F

(v1)

(v1)

N N

B3+– – FF

(v1)

N (v2)

Conformation (1) Object of Investi- References gation Conformation

Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys

Crystal Phase (1) Description (Crys- References tal Phase) Single Crystal Xray Diffraction

Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys

Crystal System (1) Crystal System References Monoclinic

Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles)

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Interatomic disSingle Crystal Xtances and angles ray Diffraction

Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys

Space Group (1) Space Group

References

Comment (Space Group)

14

a = 12.7675 Ang- Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; stroem, b = nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys 11.0228 Angstroem, c = 25.2070 Angstroem, β = 104.047; Z = 4; T = 100 K

Luminescence Spectroscopy (1) Description (Lumi- References nescence Spectroscopy) Luminescence

Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys

Use (1) Laboratory Use and Handling

References

air stable

Catalano, Vincent J.; Etogo, Anthony O.; Journal of Organometallic Chemistry; vol. 690; nb. 24-25; (2005); p. 6041 - 6050 ; (from Gmelin), View in Reaxys

Reaxys ID 17957099 View in Reaxys

N

N

N (v4)

N

N

(v1)

(v4) N (v4) N –(v4) Fe 2+ Cl OC-6 (v6)N

N

(v4)

68/77

N

N N

N

N N

F 2 F

(v4) N

N

N

N – (v1) Cl (v4) Fe 2+ (v4) N OC-6 (v6) N (v4)

F

O

S

–O

O

2

N

N

N

(v4)

N

Chemical Name: [Fe2 bis(2,4,6-tris(dipyridin-2-ylamino)-1,3,5triazine)Cl2](CF3SO3)2 (benzyl cyanide)2 Linear Structure Formula: Fe2((C10H8N3)3C3N3)2Cl2 (2+)*2CF SO 3 3 (1-)*2C H N=Fe ((C H N )3C N )2Cl (CF SO )2*2C H N 8 7 2 10 8 3 3 3 2 3 3 8 7 Molecular Formula: 2CF3O3S*2C8H7N*C66H48Cl2Fe2N24 Molecular Weight: 1892.31 Type of Substance: Coordination compound InChI Key: NPUFFIKUZNASPU-UHFFFAOYSA-K Note:

Density (1) 1 of 1

Density [g·cm-3]

1.507

Measurement Tempera- 19.84 ture [°C] Type (Density)

crystallographic

Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys Conformation (1) Object of Investi- References gation Conformation

Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys

Crystal Phase (1) Description (Crys- References tal Phase) Single Crystal Xray Diffraction

Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys

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Crystal Property Description (1) Colour & Other References Properties yellow

Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys

Crystal System (1) Crystal System References Triclinic

Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disSingle Crystal Xtances and angles ray Diffraction

Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys

Magnetic Susceptibility (1) Comment (MagReferences netic Susceptibility) susceptibility dia- Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; gram; susceptibili- Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; ty equation nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys Space Group (1) Space Group 2

Comment (Space Group)

References

a = 13.250 Angstroem, b = 13.621 Angstroem, c = 13.682 Angstroem, α = 64.419, β = 70.521, γ = 75.965; Z = 1; T = 293 K

Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys

IR Spectroscopy (2) 1 of 2

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

300 cm**-1 - 4000 cm**-1

Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys 2 of 2

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

300 cm**-1 - 4000 cm**-1

Quesada, Manuel; De Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Aromi, Guillem; Donnadieu, Bruno; Massera, Chiara; Lutz, Martin; Spek, Anthony L.; Reedijk, Jan; European Journal of Inorganic Chemistry; nb. 7; (2006); p. 1353 - 1361 ; (from Gmelin), View in Reaxys

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Reaxys ID 18140453 View in Reaxys 3

(v3)

O

69/77 Linear Structure Formula: Fe2 (2+)*2C5H5 (1-)*3CO*CNCH C H =[Fe (C H )2(CO)3(CNCH C H )] 2 6 5 2 5 5 2 6 5 Molecular Formula: 3CO*2C5H5*C8H7N*Fe2 Molecular Weight: 443.065 Type of Substance: Coordination compound InChI Key: SZPKRTZJNVBUSE-UHFFFAOYSA-N Note:

(v3)

2

CH –

N

(v1)

+Fe

Fe +

(v1)

Crystal Property Description (1) Colour & Other References Properties purple

Willis, Sheila; Manning, A. R.; Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999); (1981); p. 322 - 324 ; (from Gmelin), View in Reaxys

Reaxys ID 18261801 View in Reaxys

70/77

N

Linear Structure Formula: 2Cu(1+)*(CH3)3CC6H2(N(CH2C5H4N)2)2OH*2C6H5CH2CN*2[PF (1-)=[Cu ((CH )3CC H (N(CH C H N)2)2OH)(C H CH CN)2] 6] 2 3 6 2 2 5 4 6 5 2 [PF6]2 Molecular Formula: 2C8H7N*C34H36N6O*2Cu*2F6P Molecular Weight: 1196.02 Type of Substance: Coordination compound InChI Key: URSKKRBKINDBRA-UHFFFAOYSA-N Note:

2

2 Cu + (v1) F– (v1) 2 –F –F (v1)

– (v1)

F – P5+ F (v1) (v6) F– (v1)

N

N N

OH

N

N

N

Reaxys ID 18849175 View in Reaxys

71/77

N

Linear Structure Formula: C8H7N*ClH Molecular Formula: C8H7N*ClH Molecular Weight: 153.611 InChI Key: OXXDPHIQPAQINB-UHFFFAOYSA-N Note:

HCl

Reaxys ID 19951692 View in Reaxys

72/77 Chemical Name: essential oil of Crambe orientalis L., flowering tops, Ardabil, north west of Iran, May 2008 Type of Substance: mixture (composition partially given) Composition: Comp. Name: 2-methyl-5-hexenenitrile; n-capronitrile; n-butyl isothiocyanate; 5-methylhexanenitrile; n-heptanonitrile; caprylonitrile; 3-butenyl-ITC; pelargonaldehyde; phenylacetonitrile; octanoic acid Note:

No Structure

Pharmacological Data (4) 1 of 4

Comment (Pharmacological Data)

Bioactivities present

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Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 2 of 4

Effect (Pharmacological Data)

phytotoxic

Species or Test-System (Pharmacological Data)

seed of Lactuca sativa L. CV. Varamin, lettuce

Concentration (Pharmacological Data)

0.01 - 1.6 g/l

Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data) Further Details (Pharma- seed germination rate in control: 85percent; shoot length in control: 14.91 mm; radicle length cological Data) in control: 21.95 mm Type (Pharmacological Data)

seed germination rate

Value of Type (Pharmacological Data)

80 - 88 percent

Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 3 of 4

Effect (Pharmacological Data)

phytotoxic

Species or Test-System (Pharmacological Data)

seed of Lactuca sativa L. CV. Varamin, lettuce

Concentration (Pharmacological Data)

0.01 - 1.6 g/l

Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data) Further Details (Pharma- seed germination rate in control: 85percent; shoot length in control: 14.91 mm; radicle length cological Data) in control: 21.95 mm Type (Pharmacological Data)

shoot length

Value of Type (Pharmacological Data)

6.85 - 17.05 mm

Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 4 of 4

Effect (Pharmacological Data)

phytotoxic

Species or Test-System (Pharmacological Data)

seed of Lactuca sativa L. CV. Varamin, lettuce

Concentration (Pharmacological Data)

0.01 - 1.6 g/l

Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data) Further Details (Pharma- seed germination rate in control: 85percent; shoot length in control: 14.91 mm; radicle length cological Data) in control: 21.95 mm Type (Pharmacological Data)

radicle length

Value of Type (Pharmacological Data)

16 - 30.22 mm

Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys

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Reaxys ID 19951693 View in Reaxys

73/77 Chemical Name: essential oil of Crambe orientalis L., leaves, Ardabil, north west of Iran, May 2008 Type of Substance: mixture (composition partially given) Composition: Comp. Name: 2-methyl-5-hexenenitrile; n-butyl isothiocyanate; 5-methylhexanenitrile; 3-butenyl-ITC; Caprylic Aldehyde; eucalyptol (cineole); phenylacetaldehyde; 5-methylthiophene-2-carboxaldehyde; non-2-en-4-one; phenylacetonitrile Note:

No Structure

Pharmacological Data (6) 1 of 6

Comment (Pharmacological Data)

Bioactivities present

Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 2 of 6

Effect (Pharmacological Data)

cell viability; inhibition of

Species or Test-System (Pharmacological Data)

Mc-Coy cells

Concentration (Pharmacological Data)

1.25 - 5 g/l

Kind of Dosing (Pharma- title comp. dissolved in water using Tween 20 cological Data) Further Details (Pharma- inhibitory concentration (IC) cological Data) Type (Pharmacological Data)

IC50

Value of Type (Pharmacological Data)

16 μg/ml

Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 3 of 6

Effect (Pharmacological Data)

phytotoxic

Species or Test-System (Pharmacological Data)

seed of Lactuca sativa L. CV. Varamin, lettuce

Concentration (Pharmacological Data)

0.01 - 1.6 g/l

Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data) Further Details (Pharma- seed germination rate in control: 77percent; shoot length in control: 16.88 mm; radicle length cological Data) in control: 23.55 mm Type (Pharmacological Data)

seed germination rate

Value of Type (Pharmacological Data)

72.8 - 80 percent

Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 4 of 6

Effect (Pharmacological Data)

phytotoxic

Species or Test-System (Pharmacological Data)

seed of Lactuca sativa L. CV. Varamin, lettuce

Concentration (Pharmacological Data)

0.01 - 1.6 g/l

Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data)

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Further Details (Pharma- seed germination rate in control: 77percent; shoot length in control: 16.88 mm; radicle length cological Data) in control: 23.55 mm Type (Pharmacological Data)

shoot length

Value of Type (Pharmacological Data)

10.64 - 16.59 mm

Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 5 of 6

Effect (Pharmacological Data)

phytotoxic

Species or Test-System (Pharmacological Data)

seed of Lactuca sativa L. CV. Varamin, lettuce

Concentration (Pharmacological Data)

0.01 - 1.6 g/l

Kind of Dosing (Pharma- title comp. dispersed as emulsion in water using Tween 20 cological Data) Further Details (Pharma- seed germination rate in control: 77percent; shoot length in control: 16.88 mm; radicle length cological Data) in control: 23.55 mm Type (Pharmacological Data)

radicle length

Value of Type (Pharmacological Data)

19.32 - 28.25 mm

Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys 6 of 6

Effect (Pharmacological Data)

cell viability; inhibition of

Species or Test-System (Pharmacological Data)

Mc-Coy cells

Concentration (Pharmacological Data)

5 g/l

Kind of Dosing (Pharma- title comp. dissolved in water using Tween 20 cological Data) Type (Pharmacological Data)

cell viability

Value of Type (Pharmacological Data)

21.3 percent

Razavi, Seyed Mehdi; Nejad-Ebrahimi, Samad; Natural Product Research; vol. 23; nb. 16; (2009); p. 1492 - 1498, View in Reaxys

Reaxys ID 22015942 View in Reaxys

74/77 Chemical Name: hydrodistillate of Aurinia sinuata, dried aerial parts, Split, Dalmatia, Croatia, spring Type of Substance: mixture (composition partially given) Composition: Comp. Name: 6,10,14-trimethyl-pentadecan-2one; 2-(4-hydroxy-3-methoxyphenyl)ethene; berteroin; 5-hexenenitrile; phenylacetonitrile; 6-(methylsulfanyl)hexanenitrile; 7(methylsulfanyl)heptanenitrile; thialdine; phytanyl alcohol; 4(2,6,6-trimethyl-1-cyclohexenyl-1-yl)-3-buten-2-one Note:

No Structure

Pharmacological Data (35) 1 of 35

Comment (Pharmacological Data)

Bioactivities present

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Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 2 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Staphylococcus aureus ATCC 25923

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.089 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 3 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Bacillus cereus ATTC 11778

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.098 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 4 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Clostridium perfrigens FNSST 4999

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.107 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 5 of 35

Effect (Pharmacological Data)

antibacterial

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Species or Test-System (Pharmacological Data)

Enterococcus faecalis ATCC 29212

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.066 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 6 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Micrococcus luteus ATCC 49732

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.093 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 7 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Aeromonas hydrophila FNSST 050

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.093 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 8 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Enterobacter sakazakii FNSST 021

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

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Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.076 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 9 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Klebsiella pneumoniae FNSST 011

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.093 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 10 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Escherichia coli FNSST 982

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.08 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 11 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Enterobacter cloacae FNSST 111

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data)

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Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.091 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 12 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Pseudomonas aeruginosa FNSST 014

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.091 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 13 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Vibrio vulnificus FNSST 982

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.089 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 14 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Pseudomonas luteola FNSST 983

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.032 mg/ml

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Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 15 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Chryseobacterium indologenes FNSST 721

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.008 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 16 of 35

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Candida albicans ATCC 6275

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.093 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 17 of 35

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Aspergillus niger ATCC 10231

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.082 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 18 of 35

Effect (Pharmacological Data)

antifungal

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Species or Test-System (Pharmacological Data)

Penicillium sp. FNSST 3724

Concentration (Pharmacological Data)

0.1 - 0.5 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

0.069 mg/ml

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 19 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Staphylococcus aureus ATCC 25923

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

16 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 20 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Bacillus cereus ATTC 11778

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

11 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 21 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Clostridium perfrigens FNSST 4999

Concentration (Pharmacological Data)

0.25 mg/disc

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Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

10 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 22 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Enterococcus faecalis ATCC 29212

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

8 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 23 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Micrococcus luteus ATCC 49732

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

16 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 24 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Aeromonas hydrophila FNSST 050

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data)

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Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

15 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 25 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Enterobacter sakazakii FNSST 021

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

17 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 26 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Klebsiella pneumoniae FNSST 011

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

13 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 27 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Escherichia coli FNSST 982

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

17 mm

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Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 28 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Enterobacter cloacae FNSST 111

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

17 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 29 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Pseudomonas aeruginosa FNSST 014

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

12 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 30 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Vibrio vulnificus FNSST 982

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

12 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 31 of 35

Effect (Pharmacological Data)

antibacterial

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Species or Test-System (Pharmacological Data)

Pseudomonas luteola FNSST 983

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

12 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 32 of 35

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Chryseobacterium indologenes FNSST 721

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

13 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 33 of 35

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Candida albicans ATCC 6275

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

14 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 34 of 35

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Aspergillus niger ATCC 10231

Concentration (Pharmacological Data)

0.25 mg/disc

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Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

14 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys 35 of 35

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Penicillium sp. FNSST 3724

Concentration (Pharmacological Data)

0.25 mg/disc

Kind of Dosing (Pharma- title comp. dissolved in 96percent ethanol cological Data) Further Details (Pharma- agar disc diffusion method; diameter of inhibition zone (DIZ) cological Data) Type (Pharmacological Data)

DIZ

Value of Type (Pharmacological Data)

16 mm

Blazevic, Ivica; Radonic, Ani; Mastelic, Josip; Zekic, Marina; Skocibusic, Mirjana; Maravic, Ana; Food Chemistry; vol. 121; nb. 4; (2010); p. 1020 - 1028, View in Reaxys

Reaxys ID 22298785 View in Reaxys

75/77 Chemical Name: hydrodistillate of aerial parts of Aurinia leucadea (Guss.) C. Koch (Brassicaceae), after natural autolysis of fresh plant material, volatiles Type of Substance: mixture (composition partially given) Composition: Comp. Name: 3-butenyl-ITC; pent-4-en-1-yl isothiocyanate; s-BuN=C=S; 5-hexenenitrile; 3-propylacrolein; 1Hydroxy-2-trans-hexene; cis-3-hexene-1-ol; phenylacetonitrile; 4-Ethyl-2-methoxyphenol; 1-cyano-3-butene Note:

No Structure

Pharmacological Data (19) 1 of 19

Comment (Pharmacological Data)

Bioactivities present

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 2 of 19

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Bacillus cereus ATCC 11778

Concentration (Pharmacological Data)

250 μg

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data)

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Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)

DD

Value of Type (Pharmacological Data)

21.8 mm

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 3 of 19

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Bacillus cereus ATCC 11778

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

32 μg/ml

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 4 of 19

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Enterococcus faecalis ATCC 29212

Concentration (Pharmacological Data)

250 μg

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)

DD

Value of Type (Pharmacological Data)

19.4 mm

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 5 of 19

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Enterococcus faecalis ATCC 29212

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

16 μg/ml

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Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 6 of 19

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Escherichia coli FNSST 982

Concentration (Pharmacological Data)

250 μg

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)

DD

Value of Type (Pharmacological Data)

19.7 mm

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 7 of 19

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Escherichia coli FNSST 982

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

32 μg/ml

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 8 of 19

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Klebsiella pneumoniae FNSST 011

Concentration (Pharmacological Data)

250 μg

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)

DD

Value of Type (Pharmacological Data)

18.5 mm

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 9 of 19

Effect (Pharmacological Data)

antibacterial

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Species or Test-System (Pharmacological Data)

Klebsiella pneumoniae FNSST 011

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

32 μg/ml

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 10 of 19

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Pseudomonas aeruginosa FNSST 014

Concentration (Pharmacological Data)

250 μg

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)

DD

Value of Type (Pharmacological Data)

15.2 mm

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 11 of 19

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Pseudomonas aeruginosa FNSST 014

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

8 μg/ml

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 12 of 19

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Staphylococcus aureus ATCC 25923

Concentration (Pharmacological Data)

250 μg

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data)

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Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)

DD

Value of Type (Pharmacological Data)

19.5 mm

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 13 of 19

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Staphylococcus aureus ATCC 25923

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

32 μg/ml

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 14 of 19

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Candida albicans ATCC 6275

Concentration (Pharmacological Data)

250 μg

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)

DD

Value of Type (Pharmacological Data)

19.6 mm

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 15 of 19

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Candida albicans ATCC 6275

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

2 μg/ml

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Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 16 of 19

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Penicillium sp. FNSST 3724

Concentration (Pharmacological Data)

250 μg

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)

DD

Value of Type (Pharmacological Data)

20.5 mm

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 17 of 19

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Penicillium sp. FNSST 3724

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

8 μg/ml

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 18 of 19

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Rhizopus stolonifer FNSST 3833

Concentration (Pharmacological Data)

250 μg

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- disc diffusion assay; diameter of the inhibition zone (DD) cological Data) Type (Pharmacological Data)

DD

Value of Type (Pharmacological Data)

19.7 mm

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys 19 of 19

Effect (Pharmacological Data)

antifungal

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Species or Test-System (Pharmacological Data)

Rhizopus stolonifer FNSST 3833

Kind of Dosing (Pharma- title compound dissolved in EtOH (96percent) cological Data) Further Details (Pharma- the microdilution assay; minimal inhibitory concentration (MIC) cological Data) Type (Pharmacological Data)

MIC

Value of Type (Pharmacological Data)

2 μg/ml

Blazevic, Ivica; Radonic, Ani; Skocibusic, Mirjana; Denicola, Gina R.; Montaut, Sabine; Iori, Renato; Rollin, Patrick; Mastelic, Josip; Zekic, Marina; Maravic, Ana; Chemistry and Biodiversity; vol. 8; nb. 12; (2011); p. 2310 2321, View in Reaxys

Reaxys ID 4740803 View in Reaxys

76/77 CAS Registry Number: 65108-03-4 Linear Structure Formula: C8H6N(1+) Molecular Formula: C8H6N Molecular Weight: 116.142 Type of Substance: isocyclic InChI Key: CWQAGGQMCJSCFS-UHFFFAOYSA-N Note:

N CH +

Reaxys ID 19237460 View in Reaxys

77/77 CAS Registry Number: 66785-37-3 Chemical Name: cesium phenylacetonitrile Linear Structure Formula: C8H6N(1-)*Cs(1+) Molecular Formula: C8H6N*Cs Molecular Weight: 249.048 InChI Key: CNWQMRJZSPYOGU-UHFFFAOYSA-N Note:

N

CH – Cs +

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