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

ChEBI IDCHEBI:33217
ChEBI Name3,3',5,5'-tetrabromobisphenol A
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:19864, CHEBI:32196
Last Modified6 May 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC15H12Br4O2
Net Charge0
Average Mass543.875
Monoisotopic Mass539.75708
SMILESCC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
InChIInChI=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
InChIKeyVEORPZCZECFIRK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
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.
Application:
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 Relation(s)
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  Source
Tetrabromobisphenol AKEGG COMPOUND
3,3',5,5'-Tetrabromobisphenol AKEGG COMPOUND
2,2',6,6'-Tetrabromobisphenol AChemIDplus
2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propaneChemIDplus
4,4'-(1-Methylethylidene)bis(2,6-dibromophenol)ChemIDplus
4,4'-Isopropylidenebis(2,6-dibromophenol)ChemIDplus
Manual XrefsDatabases
c0763UM-BBD
C13620KEGG COMPOUND
Tetrabromobisphenol_AWikipedia
Registry NumbersSources
Reaxys:1889048Reaxys
CAS:79-94-7KEGG COMPOUND
CAS:79-94-7ChemIDplus
Citations