CAS Registry Number:21987-62-2
 

Name:

2,2'-Dihydroxy-3,3',5,5'-tetrabromobiphenyl

3,3',5,5'-Tetrabromo[1,1'-biphenyl]-2,2'-diol

Chemical Formula: C12H6Br4O2
Exact Mass: 497.71
Molecular Weight: 501.79
m/z: 501.71 (100.0%), 499.71 (68.1%), 503.70 (64.3%), 497.71 (17.5%), 505.70 (15.6%), 502.71 (13.0%), 500.71 (8.9%), 504.71 (8.5%), 498.71 (2.3%), 506.71 (2.1%), 503.71 (1.2%)

InChI
InChI=1S/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H
InChI Key
TXODBIOSWNNKJM-UHFFFAOYSA-N
Canonical SMILES
C1=C(C=C(C(=C1Br)O)C2=CC(=CC(=C2O)Br)Br)Br

Specification

98%

Angewandte Chemie, International Edition, 56(46), 14622-14626; 2017

Journal of the American Chemical Society, 139(46), 16939-16945; 2017