3,3',5-tribromobisphenol A

Synonyms: "tribromobisphenol A", "3,3',5-tribromobisphenol A", "2,6-dibromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol"

Source: 3,3',5-tribromobisphenol A is a metabolite of the flame retardant tetrabromobisphenol A.

Identifiers:

IUPAC Name: 2,6-dibromo-4-[2-(3-bromo-4-hydroxyphenyl)propan-2-yl]phenol
CAS Number: 6386-73-8
PubChem ID: 80801
InChiKey: WYBOEVJIVYIEJL-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C1=CC(=C(C=C1)O)Br)C2=CC(=C(C(=C2)Br)O)Br

Structural Properties:

Molecular Formula: C₁₅H₁₃Br₃O₂
Molecular Weight: 464.975

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 20

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

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Meerts IATM, Letcher RJ, Hoving S, Marsh G, Bergman Å,, Lemmen JG, van der Burg B, Brouwer A. 2001. In vitro estrogenicity of polybrominated diphenyl ethers, hydroxylated PBDEs, and polybrominated bisphenol A compounds. Environ Health Perspect 109(4):399-407, DOI: 10.2307/3454900.

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.