U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H5Br5
Molecular Weight 548.688
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2',3,5',6-PENTABROMOBIPHENYL

SMILES

BrC1=CC(=C(Br)C=C1)C2=C(Br)C(Br)=CC=C2Br

InChI

InChIKey=VADHAYVBWIFCKV-UHFFFAOYSA-N
InChI=1S/C12H5Br5/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16)12(11)17/h1-5H

HIDE SMILES / InChI

Molecular Formula C12H5Br5
Molecular Weight 548.688
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:56:15 GMT 2025
Edited
by admin
on Mon Mar 31 22:56:15 GMT 2025
Record UNII
031I7M9EOQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2',3,5',6-PENTABROMOBIPHENYL
Systematic Name English
PBB 95
Preferred Name English
1,1'-BIPHENYL, 2,2',3,5',6-PENTABROMO-
Systematic Name English
Code System Code Type Description
CAS
88700-05-4
Created by admin on Mon Mar 31 22:56:15 GMT 2025 , Edited by admin on Mon Mar 31 22:56:15 GMT 2025
PRIMARY
PUBCHEM
181949
Created by admin on Mon Mar 31 22:56:15 GMT 2025 , Edited by admin on Mon Mar 31 22:56:15 GMT 2025
PRIMARY
FDA UNII
031I7M9EOQ
Created by admin on Mon Mar 31 22:56:15 GMT 2025 , Edited by admin on Mon Mar 31 22:56:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID40237252
Created by admin on Mon Mar 31 22:56:15 GMT 2025 , Edited by admin on Mon Mar 31 22:56:15 GMT 2025
PRIMARY