2,2',4,4',5,5'-hexabromobiphenyl (CHEBI:134050)

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ChEBI Name	2,2',4,4',5,5'-hexabromobiphenyl

ChEBI ID	CHEBI:134050

Definition	A polybromobiphenyl that is biphenyl in which the hydrogens at positions 2, 2', 4, 4', 5, and 5' have been replace by bromines.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ZINC000095832019

Download	Molfile XML SDF

Formula

C12H4Br6

Net Charge

Average Mass

627.582

Monoisotopic Mass

621.54133

InChI

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

InChIKey

HMBBJSKXDBUNNT-UHFFFAOYSA-N

SMILES

C1(C2=C(C=C(C(=C2)Br)Br)Br)=C(C=C(C(=C1)Br)Br)Br

Roles Classification
Chemical Role(s):	persistent organic pollutant Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. (via polybromobiphenyl ) (via polychlorinated dibenzodioxines and related compounds ) (via brominated flame retardant )

Application(s):	flame retardant Any compound that is added to manufactured materials to inhibit, suppress, or delay the production of flames and so prevent the spread of fire. (via brominated flame retardant )

ChEBI Ontology
Outgoing	2,2',4,4',5,5'-hexabromobiphenyl (CHEBI:134050) is a brominated flame retardant (CHEBI:172368) 2,2',4,4',5,5'-hexabromobiphenyl (CHEBI:134050) is a polybromobiphenyl (CHEBI:134049)

IUPAC Name

2,2',4,4',5,5'-hexabromo[biphenyl]

Last Modified

06 May 2021