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CAS Number: 58458-14-3
2-amino-3-(trifluoromethyl)benzonitrile

Structure

2-amino-3-(trifluoromethyl)benzonitrile
Name: 2-amino-3-(trifluoromethyl)benzonitrile
Synonyms:
General Information
Product Number: 58458143

CAS Registry Number 58458-14-3
Name:
Benzonitrile, 2-​amino-​3-​(trifluoromethyl)​-
2-Amino-3-trifluoromethylbenzonitrile

 

Chemical Formula: C8H5F3N2
Exact Mass: 186.04
Molecular Weight: 186.13
m/z: 186.04 (100.0%), 187.04 (9.4%)

 

InChI:InChI=1S/C8H5F3N2/c9-8(10,11)6-3-1-2-5(4-12)7(6)13/h1-3H,13H2

InChI Key:UHOSMRSMWHLHJO-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 72 °C Solv: ethanol (64-17-5); water (7732-18-5) (1)IC

Specification

98%

References
  1. (1) Gray, J.; Journal of Heterocyclic Chemistry 1980, V17(1), P65-7 CAPLUS
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