2,3',4',6-tetrabromodiphenyl ether

Synonyms: "PBDE 71", "2,3',4',6-tetraBDE"

Source: 2,3',4',6-tetrabromodiphenyl ether is a brominated fire retardant used in polyurethan foam and plastics.

Identifiers:

IUPAC Name: 1,2-dibromo-4-(2,6-dibromophenoxy)benzene
CAS Number: 189084-62-6
PubChem ID: 15509894
InChiKey: COPAGYRSCJVION-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1)Br)OC2=CC(=C(C=C2)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

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3D structure (.sdf)
3D structure (.mol2)
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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.