2,4,4'-tribromodiphenyl ether

Synonyms: "PBDE 28", "2,4,4'-TriBDE"

Source: 2,4-dibromo-1-(4-bromophenoxy)benzene is classified as a food contaminant.

Identifiers:

IUPAC Name: 2,4-dibromo-1-(4-bromophenoxy)benzene
CAS Number: 41318-75-6
PubChem ID: 12110098
InChiKey: UPNBETHEXPIWQX-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1OC2=C(C=C(C=C2)Br)Br)Br

Structural Properties:

Molecular Formula: C12H7Br3O
Molecular Weight: 406,895

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 16

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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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