2,4,4',6-tetrabromodiphenyl ether

Synonyms: "PBDE 75", "2,4,4',6-tetraBDE"

Source: 2,4,4',6-tetrabromodiphenyl ether is a brominated fire retardant used in polyurethane foam and plastics.


IUPAC Name: 1,3,5-tribromo-2-(4-bromophenoxy)benzene
CAS Number: 189084-63-7
PubChem ID: 15509895
Canonical SMILES: C1=CC(=CC=C1OC2=C(C=C(C=C2Br)Br)Br)Br

Structural Properties:

Molecular Formula: C12H6Br4O
Molecular Weight: 485,791

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 17


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)

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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