2,3-dibromo-4-(2,4-dibromophenoxy)phenol

Synonyms: "2,3-Dibromo-4-(2,4-dibromophenoxy)phenol", "4-hydroxy-2,2',3,4'-tetrabromodiphenyl ether".

Source: 4-hydroxy-2,2',3,4'-tetrabromodiphenyl ether is a metabolite of polybrominated diphenyl ethers, which are widely used as flame retardants.

Identifiers:

IUPAC Name: 2,3-dibromo-4-(2,4-dibromophenoxy)phenol
CAS Number: 602326-22-7
PubChem ID: 71374219
InChiKey: PTGDCHAABFACBN-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2)O)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₆Br₄O₂
Molecular Weight: 501.794

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18

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

Hamers T, Kamstra JH, Sonneveld E, Murk AJ, Visser TJ, Van Velzen MJM, Brouwer A, Bergman a?. 2008. Biotransformation of brominated flame retardants into potentially endocrine-disrupting metabolites, with special attention to 2,2',4,4'-tetrabromodiphenyl ether (BDE-47). Mol Nutr Food Res 52(2):284-298. DOI: 10.1002/mnfr.200700104. URL: http://onlinelibrary.wiley.com/doi/10.1002/mnfr.200700104/abstract.