CAS Registry Number: 473-27-8

Name:

Benzenamine, 4-​[(trifluoromethyl)​sulfonyl]​-
Aniline, p-​[(trifluoromethyl)​sulfonyl]​- (6CI,​7CI,​8CI); 4-​(Trifluoromethanesul​fonyl)​aniline; 4-​(Trifluoromethylsulf​onyl)​aniline; 4-​Aminophenyl trifluoromethyl sulfone; 4-​Trifluoromethylsulfo​nylphenylamine; p-​[(Trifluoromethyl)​sulfonyl]​aniline 

Chemical Formula: C7H6F3NO2S
Exact Mass: 225.01
Molecular Weight: 225.19
m/z: 225.01 (100.0%), 226.01 (8.5%), 227.00 (4.5%)
Elemental Analysis: C, 37.34; H, 2.69; F, 25.31; N, 6.22; O, 14.21; S, 14.24

InChI: InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2
InChIKey: GNVFCXUZQGCXPB-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1N)S(=O)(=O)C(F)(F)F

Specification

98%

(1) Egorov, Yu. P.; Teoreticheskaya i Eksperimental'naya Khimiya 1978, V14(1), P84-90 CAPLUS
(2) Yagupol'skii, L. M.; Zhurnal Obshchei Khimii 1954, V24, P887-94 CAPLUS