CAS Registry Number: 21724-83-4

Name:

Benzonitrile, 2-​chloro-​4-​isothiocyanato-
Isothiocyanic acid, 3-​chloro-​4-​cyanophenyl ester (8CI) 

Chemical Formula: C8H3ClN2S
Exact Mass: 193.97
Molecular Weight: 194.64
m/z: 193.97 (100.0%), 195.97 (36.6%), 194.97 (10.2%), 196.97 (3.4%), 197.96 (1.4%)
Elemental Analysis: C, 49.37; H, 1.55; Cl, 18.21; N, 14.39; S, 16.47

InChI: InChI=1S/ClH/h1H
InChIKey: VEXZGXHMUGYJMC-UHFFFAOYSA-N
Canonical SMILES : Cl

Specification

98%

1. (1) Khatik, Gopal L.; European Journal of Medicinal Chemistry 2011, V46(8), P3291-3301 CAPLUS
2. (2) Walls, Leslie P.; ZA 6703761 1967 CAPLUS