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CAS Number: 327-74-2
4-amino-3-(trifluoromethyl)benzonitrile

Structure

4-amino-3-(trifluoromethyl)benzonitrile
Name: 4-amino-3-(trifluoromethyl)benzonitrile
Synonyms:
General Information
Product Number: 327742
CAS Registry Number:
327-74-2
Name:
Benzonitrile, 4-​amino-​3-​(trifluoromethyl)​-
m-​Tolunitrile, 4-​amino-​α,​α,​α-​trifluoro- (6CI,​8CI); 2-​Amino-​5-​cyanobenzotrifluorid​e; 2-​Trifluoromethyl-​4-​cyanoaniline; 3-​Trifluoromethyl-​4-​aminobenzonitrile; 4-​Amino-​3-​trifluoromethylbenzo​nitrile; 4-​Cyano-​2-​trifluoromethylanili​ne 
 
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)6-3-5(4-12)1-2-7(6)13/h1-3H,13H2
InChIKey: MWLZJOBGDXBMBP-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C#N)C(F)(F)F)N
 
Thermal Properties Value Condition Note
Boiling Point 108-110 °C Press: 7 Torr (1)CAS
Melting Point 64-65 °C   (2)CAS
Melting Point 64-65 °C   (3)CAS

Specification

98%

References
  1. (1) Inukai, Kan; Kogyo Kagaku Zasshi 1965, V68(2), P315-18 CAPLUS
  2. (2) Johnson, Eric L.; GB 756079 1956 CAPLUS
  3. (3) Johnson, Eric L.; GB 757361 1956 CAPLUS
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