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CAS Number: 6526-08-5
2-amino-5-(trifluoromethyl)benzonitrile

Structure

2-amino-5-(trifluoromethyl)benzonitrile
Name: 2-amino-5-(trifluoromethyl)benzonitrile
Synonyms:
General Information
Product Number: 6526085
CAS Registry Number: 6526-08-5
Name:
Benzonitrile, 2-​amino-​5-​(trifluoromethyl)​-
m-​Tolunitrile, 6-​amino-​α,​α,​α-​trifluoro- (7CI,​8CI); 2-​Amino-​5-​trifluoromethylbenzo​nitrile 
 
Chemical Formula: C8H5F3N2
Exact Mass: 186.04
Molecular Weight: 186.13
m/z: 186.04 (100.0%), 187.04 (9.4%)
Elemental Analysis: C, 51.62; H, 2.71; F, 30.62; N, 15.05
 
InChI: InChI=1S/C8H5F3N2/c9-8(10,11)6-1-2-7(13)5(3-6)4-12/h1-3H,13H2
InChIKey: ZLCIALUBLCAXPL-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C(F)(F)F)C#N)N
 
Thermal Properties Value Condition Note
Boiling Point 95-115 °C Press: 0.4-0.7 Torr (1)CAS
Melting Point 72-74 °C Solv: benzene (71-43-2) (1)CAS

Specification

98%

References
  1. (1) Ross, Stephen T.; US 3254094 1966 CAPLUS
  2. (2) Smith, Cameron J.; Journal of Medicinal Chemistry 2011, V54(13), P4880-4895 CAPLUS
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