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

Synonyms: "PBDE 119", "2,3',4,4',6-PentaBDE"

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

Identifiers:

IUPAC Name: 1,3,5-tribromo-2-(3,4-dibromophenoxy)benzene
CAS Number: 189084-66-0
PubChem ID: 15509897
InChiKey: KXEOYBYEJCRPGB-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2Br)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₅Br₅O
Molecular Weight: 564.688

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
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

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.