CAS Registry Number: 127792-49-8

Name:

Benzeneacetonitrile, 2-​bromo-​5-​chloro-

Chemical Formula: C8H5BrClN
Exact Mass: 228.93
Molecular Weight: 230.49
m/z: 230.93 (100.0%), 228.93 (77.4%), 232.92 (24.1%), 231.93 (8.7%), 229.93 (7.0%), 233.93 (2.1%)
Elemental Analysis: C, 41.69; H, 2.19; Br, 34.67; Cl, 15.38; N, 6.08

InChI: InChI=1S/C8H5BrClN/c9-8-2-1-7(10)5-6(8)3-4-11/h1-2,5H,3H2
InChIKey: WFOFYTGSDGUGKN-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1Cl)CC#N)Br

Specification

98%

PCT Int. Appl. (2012), WO 2012068234 A2 20120524.                                 

Tetrahedron Letters (2013), 54(9), 1155-1159.