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
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.

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) has role flame retardant (CHEBI:79314) 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

16 July 2015