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CAS Number: 143782-23-4
4-isothiocyanato-2-(trifluoromethyl)benzonitrile

Structure

 4-isothiocyanato-2-(trifluoromethyl)benzonitrile
Name: 4-isothiocyanato-2-(trifluoromethyl)benzonitrile
Synonyms:
General Information
Product Number: 143782234

CAS Registry Number 143782-23-4
Name:
Benzonitrile, 4-?isothiocyanato-?2-?(trifluoromethyl)?-
4-Isothiocyanato-2-(trifluoromethyl)benzonitrile
4-Cyano-3-trifluoromethylphenylisothiocyanate
4-Isothiocyanato-2-trifluoromethylbenzonitrile
4-Thioisocyanato-2-(trifluoromethyl)benzonitrile

 

Chemical Formula: C9H3F3N2S
Exact Mass: 228.00
Molecular Weight: 228.19
m/z: 228.00 (100.0%), 229.00 (10.6%), 229.99 (4.5%)

 

InChI:InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H

InChI Key:TYXKOMAQTWRDCR-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1N=C=S)C(F)(F)F)C#N

Specification

98%
References
  1. (1) Khatik, Gopal L.; European Journal of Medicinal Chemistry 2011, V46(8), P3291-3301 CAPLUS
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