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.

Identifiers:

IUPAC Name: 1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene
CAS Number: 32534-81-9 (DE-71)
PubChem ID: 36159
InChiKey: WHPVYXDFIXRKLN-UHFFFAOYSA-N
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

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Evidence Supporting This Chemical as an Endocrine Disruptor
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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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