3,3',5,5'-tetrabromobisphenol A (CHEBI:33217)

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ChEBI Name	3,3',5,5'-tetrabromobisphenol A

ChEBI ID	CHEBI:33217

Definition	A bromobisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups and the phenyl rings are substituted by bromo groups at positions 2, 2', 6 and 6'. It is a brominated flame retardant.

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

Secondary ChEBI IDs	CHEBI:32196, CHEBI:19864

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Formula

C15H12Br4O2

Net Charge

Average Mass

543.87058

Monoisotopic Mass

539.75708

InChI

InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3

InChIKey

VEORPZCZECFIRK-UHFFFAOYSA-N

SMILES

CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1

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 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	3,3',5,5'-tetrabromobisphenol A (CHEBI:33217) has functional parent bisphenol A (CHEBI:33216) 3,3',5,5'-tetrabromobisphenol A (CHEBI:33217) is a brominated flame retardant (CHEBI:172368) 3,3',5,5'-tetrabromobisphenol A (CHEBI:33217) is a bromobisphenol (CHEBI:22931)

IUPAC Name

4,4'-(propane-2,2-diyl)bis(2,6-dibromophenol)

Synonyms	Sources
2,2',6,6'-Tetrabromobisphenol A	ChemIDplus
2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane	ChemIDplus
3,3',5,5'-Tetrabromobisphenol A	KEGG COMPOUND
4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)	ChemIDplus
4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol	NIST Chemistry WebBook
4,4'-Isopropylidenebis(2,6-dibromophenol)	ChemIDplus
Tetrabromobisphenol A	KEGG COMPOUND
tetrabromobisphenol-A	ChEBI

Last Modified

06 May 2021