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

Downloads

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

Search Similar molecules

Similarity from: % to %

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.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer