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

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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 0
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.
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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
Manual Xrefs Databases
c0763 UM-BBD
C13620 KEGG COMPOUND
Tetrabromobisphenol_A Wikipedia
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Registry Numbers Types Sources
1889048 Reaxys Registry Number Reaxys
79-94-7 CAS Registry Number KEGG COMPOUND
79-94-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17784851 PubMed citation Europe PMC
24060738 PubMed citation Europe PMC
24709479 PubMed citation Europe PMC
25042713 PubMed citation Europe PMC
Last Modified
16 July 2015