tetrabromobisphenol A

Synonyms: "bromdian", "3,3',5,5'-tetrabromobisphenol A", "4,4'-isopropylidenebis(2,6-dibromophenol)", "2,2-bis(3,5-dibromo-4-hydroxyphenyl)propane"

Source: tetrabromobisphenol-A is a brominated organic compound mainly worldwide used as reactive flame-retardant in printed circuit boards or laminates.

Identifiers:

IUPAC Name: 2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
CAS Number: 79-94-7
PubChem ID: 6618
InChiKey: VEORPZCZECFIRK-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br

Structural Properties:

Molecular Formula: C₁₅H₁₂Br₄O₂
Molecular Weight: 543.871

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 21

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Meerts IATM, van Zanden JJ, Luijks EAC, van Leeuwen-Bol I, Marsh G, Jakobsson E, Bergman Å,, Brouwer A. 2000. Potent competitive interactions of some brominated flame retardants and related compounds with human transthyretin in vitro. Toxicol Sci 56(1):95-104.