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

Synonyms: "pentabromodiphenyl ether", "PBDE 100", "1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene", "2,2',4,4',6-PentaBDE"

Source: 1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene is used mainly in rigid and flexible polyurethane foams and polyurethane elastomers.


IUPAC Name: 1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene
CAS Number: 189084-64-8
PubChem ID: 154083
Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2Br)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


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

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Toxicological Information

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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