CAS Registry Number: 1239964-16-9

Name:

Benzonitrile, 4-​(bromomethyl)​-​3,​5-​difluoro-

Chemical Formula: C8H4BrF2N
Exact Mass: 230.95
Molecular Weight: 232.02
m/z: 230.95 (100.0%), 232.95 (97.3%), 231.95 (9.0%), 233.95 (8.5%)
Elemental Analysis: C, 41.41; H, 1.74; Br, 34.44; F, 16.38; N, 6.04

InChI: InChI=1S/C8H4BrF2N/c9-3-6-7(10)1-5(4-12)2-8(6)11/h1-2H,3H2
InChIKey: IYMOSNWHEULEDH-UHFFFAOYSA-N
Canonical SMILES : C1=C(C=C(C(=C1F)CBr)F)C#N

Specification

98%

PCT Int. Appl. (2013), WO 2013050438 A1 20130411. 

PCT Int. Appl. (2010), WO 2010093845 A1 20100819.