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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H7Br3
Molecular Weight 390.896
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4,4'-TRIBROMOBIPHENYL

SMILES

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

InChI

InChIKey=BYQYWRHKDIPDTI-UHFFFAOYSA-N
InChI=1S/C12H7Br3/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H

HIDE SMILES / InChI

Molecular Formula C12H7Br3
Molecular Weight 390.896
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Studies on the structure-activity relationships for the metabolism of polybrominated biphenyls by rat liver microsomes.
1985-03-30
Polybrominated biphenyls as aryl hydrocarbon hydroxylase inducers: structure-activity correlations.
1982-10
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:43:30 GMT 2025
Edited
by admin
on Mon Mar 31 22:43:30 GMT 2025
Record UNII
G3AF81A270
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PBB 37
Preferred Name English
3,4,4'-TRIBROMOBIPHENYL
Systematic Name English
1,1'-BIPHENYL, 3,4,4'-TRIBROMO-
Systematic Name English
Code System Code Type Description
CAS
6683-35-8
Created by admin on Mon Mar 31 22:43:30 GMT 2025 , Edited by admin on Mon Mar 31 22:43:30 GMT 2025
PRIMARY
FDA UNII
G3AF81A270
Created by admin on Mon Mar 31 22:43:30 GMT 2025 , Edited by admin on Mon Mar 31 22:43:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID90216951
Created by admin on Mon Mar 31 22:43:30 GMT 2025 , Edited by admin on Mon Mar 31 22:43:30 GMT 2025
PRIMARY
PUBCHEM
3014518
Created by admin on Mon Mar 31 22:43:30 GMT 2025 , Edited by admin on Mon Mar 31 22:43:30 GMT 2025
PRIMARY