pentabromodiphenyl ether

Synonyms: "PBDE 99", "2,2',4,4',5-pentabromodiphenyl ether", "DE 71", "1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene"

Source: pentabromodiphenyl ether is a brominated flame retardant most commonly used in polyurethane foam.


IUPAC Name: 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene
CAS Number: 32534-81-9 (DE-71)
PubChem ID: 36159
Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=CC(=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

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

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

Fowles JR, Fairbrother A, Baecher-Steppan L, Kerkvliet NI. 1994. Immunologic and endocrine effects of the flame-retardant pentabromodiphenyl ether (DE-71) in C57BL/6J mice. Toxicology 86(1-2):49-61.

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