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: 564.69

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 Emerging Contaminant

Bichon, E., Guiffard, I., V?nisseau, A., Lesquin, E., Vaccher, V., Brosseaud, A., Marchand, P.,& Le BizecLABoratoire, B.(2016). Simultaneous determination of 16 brominated flame retardants infood and feed of animal origin by fast gas chromatography coupled totandem mass spectrometry using atmospheric pressure chemicalionisation. Journal of Chromatography A, 1459, 120?128.

Hoenickea, R.,Orosa, D., Orama, J., Taberskib, K. (2007). Adapting an ambient monitoring program to the challenge of managing emerging pollutants in the San Francisco Estuary. Environmental Research 105, 132?144.

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