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

Downloads

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

Search Similar molecules

Similarity from: % to %

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors
newtab


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

icon icon

2D-structure

2d_structure

3D-structure

3d_structure