3-ethenylbenzonitrile

Modify Date: 2025-08-25 22:36:53

3-ethenylbenzonitrile Structure
3-ethenylbenzonitrile structure
Common Name 3-ethenylbenzonitrile
CAS Number 5338-96-5 Molecular Weight 129.15900
Density 1.26g/cm3 Boiling Point 449.7ºC at 760 mmHg
Molecular Formula C9H7N Melting Point N/A
MSDS N/A Flash Point 225.8ºC

 Names

Name 3-Ethenylbenzoic acid ethyl ester
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.26g/cm3
Boiling Point 449.7ºC at 760 mmHg
Molecular Formula C9H7N
Molecular Weight 129.15900
Flash Point 225.8ºC
Exact Mass 129.05800
PSA 23.79000
LogP 2.20128
Index of Refraction 1.628
InChIKey FDIHXBYYQCPWDX-UHFFFAOYSA-N
SMILES C=Cc1cccc(C#N)c1

 Safety Information

HS Code 2926909090

 Synthetic Route

~91%

3-ethenylbenzonitrile Structure

3-ethenylbenzon...

CAS#:5338-96-5

Literature: Lee, B. C.; Choe, Y. S.; Lee, K. H.; Kim, B.-T.; Chi, D. Y. Journal of Labelled Compounds and Radiopharmaceuticals, 2001 , vol. 44, p. S404 - S406

~89%

3-ethenylbenzonitrile Structure

3-ethenylbenzon...

CAS#:5338-96-5

Literature: Smith, Craig R.; RajanBabu Tetrahedron, 2010 , vol. 66, # 5 p. 1102 - 1110

~82%

3-ethenylbenzonitrile Structure

3-ethenylbenzon...

CAS#:5338-96-5

Literature: Bourne, Samuel L.; O'Brien, Matthew; Kasinathan, Sivarajan; Koos, Peter; Tolstoy, Paeivi; Hu, Dennis X.; Bates, Roderick W.; Martin, Benjamin; Schenkel, Berthold; Ley, Steven V. ChemCatChem, 2013 , vol. 5, # 1 p. 159 - 172

~78%

3-ethenylbenzonitrile Structure

3-ethenylbenzon...

CAS#:5338-96-5

Literature: Schedler, Michael; Wang, Duo-Sheng; Glorius, Frank Angewandte Chemie - International Edition, 2013 , vol. 52, # 9 p. 2585 - 2589 Angew. Chem., 2013 , vol. 125, # 9 p. 2645 - 2649,6

~%

3-ethenylbenzonitrile Structure

3-ethenylbenzon...

CAS#:5338-96-5

Literature: RIGEL PHARMACEUTICALS, INC. Patent: WO2005/82898 A1, 2005 ; Location in patent: Figure 5 ;

~%

3-ethenylbenzonitrile Structure

3-ethenylbenzon...

CAS#:5338-96-5

Literature: Bernasconi, Silvana; Orsini, Fulvia; Sello, Guido; Di Gennaro, Patrizia Tetrahedron Asymmetry, 2004 , vol. 15, # 10 p. 1603 - 1606

~%

3-ethenylbenzonitrile Structure

3-ethenylbenzon...

CAS#:5338-96-5

Literature: Matsui J. Soc. chem. Ind. Japan Spl., 1943 , vol. 46, p. 125

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-Vinyl-benzonitril
3-vinylbenzoic acid ethyl ester
m-Vinylbenzoesaeure-methylester
3-vinylbenzoic acid methyl ester
methyl 3-vinyl-benzoate
ethyl 3-vinylbenzoate
3-cyanostyrene
Benzoic acid,3-ethenyl-,ethyl ester
Methyl 3-ethenylbenzoate
3-vinylbenzonitrile
3-ethenylbenzonitrile
m-Cyan-styrol
m-cyanostyrene
Aethyl-m-vinyl-benzoat
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