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CAS Number: 1813-33-8
2-chloro-4-(trifluoromethyl)benzonitrile

Structure

2-chloro-4-(trifluoromethyl)benzonitrile
Name: 2-chloro-4-(trifluoromethyl)benzonitrile
Synonyms:
General Information
Product Number: 1813338

CAS Registry Number 1813-33-8
Name:
Benzonitrile, 2-​chloro-​4-​(trifluoromethyl)​-
p-Tolunitrile, 2-chloro-α,α,α-trifluoro- (7CI,8CI)
2-Chloro-4-trifluoromethylbenzonitrile

 

Chemical Formula: C8H3ClF3N
Exact Mass: 204.99
Molecular Weight: 205.56
m/z: 204.99 (100.0%), 206.99 (32.0%), 205.99 (9.0%), 207.99 (2.8%)

 

InChI:InChI=1S/C8H3ClF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H

InChI Key:GEHMLBFNZKJDQM-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(C=C1C(F)(F)F)Cl)C#N

 

Thermal Properties Value Condition Note
Melting Point 39-40 °C   (1)CAS

Specification

98%

References
  1. (1) Kariss, John; US 3116203 1963 CAPLUS
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