3,5-dibromo-2-(2,4-dibromophenoxy)phenol

Synonyms: "3,5-dibromo-2-(2,4-dibromophenoxy)phenol", "6-hydroxy-2,2,4,4-tetrabromodiphenyl ether", "6-hydroxy-2,2',4,4'-tetrabromodiphenylether", "3,5-dibromo-2-(2'',4''-dibromophenoxy)phenol".

Source: 3,5-dibromo-2-(2,4-dibromophenoxy)phenol is a metabolite of polybrominated diphenyl ethers (PBDEs), which are used as flame retardants.

Identifiers:

IUPAC Name: 3,5-dibromo-2-(2,4-dibromophenoxy)phenol
CAS Number: 79755-43-4
PubChem ID: 3086109
InChiKey: SNCQITRZEBFIRW-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2O)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

Downloads

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

Search Similar molecules

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

Hamers T, Kamstra JH, Sonneveld E, Murk AJ, Kester MH, Andersson PL, Legler J, Brouwer A. 2006. In vitro profiling of the endocrine-disrupting potency of brominated flame retardants. Toxicol Sci 92(1):157-173. DOI: 10.1093/toxsci/kfj187. URL: https://academic.oup.com/toxsci/article/92/1/157/1642946Hamers 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.