CAS Registry Number: 32118-33-5

Name:

Benzene, 1-​bromo-​2-​chloro-​4-​isothiocyanato-
Isothiocyanic acid, 4-​bromo-​3-​chlorophenyl ester (8CI); 3-​Chloro-​4-​bromophenyl isothiocyanate; 4-​Bromo-​3-​chlorophenylisothioc​yanate 

Chemical Formula: C7H3BrClNS
Exact Mass: 246.89
Molecular Weight: 248.53
m/z: 248.88 (100.0%), 246.89 (74.8%), 250.88 (27.7%), 249.89 (7.4%), 247.89 (6.3%), 251.88 (2.4%), 249.88 (1.4%), 252.88 (1.1%)
Elemental Analysis: C, 33.83; H, 1.22; Br, 32.15; Cl, 14.27; N, 5.64; S, 12.90

InChI: InChI=1S/C7H3BrClNS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChIKey: NYJNWHXQEZOISL-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1N=C=S)Cl)Br

Specification

98%

PCT Int. Appl. (2014), WO 2014006066 A1 20140109.                                  

PCT Int. Appl. (2008), WO 2008134693 A1 20081106.