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Details

Stereochemistry ACHIRAL
Molecular Formula C12H4Br6
Molecular Weight 627.584
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

BrC1=CC(=CC(Br)=C1Br)C2=CC(Br)=C(Br)C(Br)=C2

InChI

InChIKey=UXOOFXUEODCAIP-UHFFFAOYSA-N
InChI=1S/C12H4Br6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H

HIDE SMILES / InChI

Molecular Formula C12H4Br6
Molecular Weight 627.584
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure elucidation of some minor components of the polybromobiphenyl mixture, Firemaster.
1983 Nov
Genetic differences in lethality of newborn mice treated in utero with coplanar versus non-coplanar hexabromobiphenyl.
2006 Feb
Suppression of peroxisomal enzyme activities and cytochrome P450 4A isozyme expression by congeneric polybrominated and polychlorinated biphenyls.
2007
Effects of brominated flame retardants and brominated dioxins on steroidogenesis in H295R human adrenocortical carcinoma cell line.
2007 Apr
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:05:56 GMT 2023
Edited
by admin
on Sat Dec 16 09:05:56 GMT 2023
Record UNII
O0S2JKE526
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3',4,4',5,5'-HEXABROMOBIPHENYL
Systematic Name English
PBB 169
Common Name English
1,1'-BIPHENYL, 3,3',4,4',5,5'-HEXABROMO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10208772
Created by admin on Sat Dec 16 09:05:56 GMT 2023 , Edited by admin on Sat Dec 16 09:05:56 GMT 2023
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FDA UNII
O0S2JKE526
Created by admin on Sat Dec 16 09:05:56 GMT 2023 , Edited by admin on Sat Dec 16 09:05:56 GMT 2023
PRIMARY
CAS
60044-26-0
Created by admin on Sat Dec 16 09:05:56 GMT 2023 , Edited by admin on Sat Dec 16 09:05:56 GMT 2023
PRIMARY
PUBCHEM
104942
Created by admin on Sat Dec 16 09:05:56 GMT 2023 , Edited by admin on Sat Dec 16 09:05:56 GMT 2023
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