2,2',4,4',5,5'-hexabromodiphenyl ether

Synonyms: "1,1'-oxybis(2,4,5-tribromobenzene)", "PBDE 153", "2,2',4,4',5,5'-hexaBDE "

Source: 2,3',4,4',6-pentabromodiphenyl ether is a component of penta- and octa- brominated diphenyl ether flame retardant products.


IUPAC Name: 1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene
CAS Number: 68631-49-2
PubChem ID: 155166
Canonical SMILES: C1=C(C(=CC(=C1Br)Br)Br)OC2=CC(=C(C=C2Br)Br)Br

Structural Properties:

Molecular Formula: C12H4Br6O
Molecular Weight: 643,584

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 19


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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

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.

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