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CAS Number: 231953-38-1
3-fluoro-4-(trifluoromethyl)benzonitrile

Structure

3-fluoro-4-(trifluoromethyl)benzonitrile
Name: 3-fluoro-4-(trifluoromethyl)benzonitrile
Synonyms:
General Information
Product Number: 231953381
CAS Registry Number: 231953-38-1
Name:
        Benzonitrile, 3-​fluoro-​4-​(trifluoromethyl)​-
        3-​Fluoro-​4-​trifluoromethylbenzo​nitrile 
 
Chemical Formula: C8H3F4N
Exact Mass: 189.02
Molecular Weight: 189.11
m/z: 189.02 (100.0%), 190.02 (9.0%)
Elemental Analysis: C, 50.81; H, 1.60; F, 40.18; N, 7.41
 
InChI: InChI=1S/C8H3F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H
InChIKey: CFPNGJCBTZAVDN-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C#N)F)C(F)(F)F

Specification

98%

References
  1. (1) Anbarasan, Pazhamalai; Chemistry - A European Journal 2011, V17(15), P4217-4222, S4217/1-S4217/53 CAPLUS
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