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Details

Stereochemistry ACHIRAL
Molecular Formula C12H3Cl7
Molecular Weight 395.323
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,3',4,4',5,5'-HEPTACHLOROBIPHENYL

SMILES

ClC1=CC(=CC(Cl)=C1Cl)C2=C(Cl)C(Cl)=C(Cl)C(Cl)=C2

InChI

InChIKey=XUAWBXBYHDRROL-UHFFFAOYSA-N
InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H

HIDE SMILES / InChI

Molecular Formula C12H3Cl7
Molecular Weight 395.323
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Consensus toxicity factors for polychlorinated dibenzo-p-dioxins, dibenzofurans, and biphenyls combining in silico models and extensive in vitro screening of AhR-mediated effects in human and rodent cells.
2015-04-20
4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl-mediated decrease in serum thyroxine level in mice occurs through increase in accumulation of thyroxine in the liver.
2009-10
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:12:15 GMT 2025
Edited
by admin
on Mon Mar 31 22:12:15 GMT 2025
Record UNII
BN8554XK23
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,3',4,4',5,5'-HEPTACHLOROBIPHENYL
Systematic Name English
PCB 189
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID4074144
Created by admin on Mon Mar 31 22:12:15 GMT 2025 , Edited by admin on Mon Mar 31 22:12:15 GMT 2025
PRIMARY
CAS
39635-31-9
Created by admin on Mon Mar 31 22:12:15 GMT 2025 , Edited by admin on Mon Mar 31 22:12:15 GMT 2025
PRIMARY
PUBCHEM
38306
Created by admin on Mon Mar 31 22:12:15 GMT 2025 , Edited by admin on Mon Mar 31 22:12:15 GMT 2025
PRIMARY
FDA UNII
BN8554XK23
Created by admin on Mon Mar 31 22:12:15 GMT 2025 , Edited by admin on Mon Mar 31 22:12:15 GMT 2025
PRIMARY