2,2',4,4'-tetrabromodiphenyl ether

Synonyms: PBDE 47, "dibromophenyl ether", "bis(2,4-dibromophenyl) ether"

Source: 2,2',4,4'-tetrabromodiphenyl ether is the major PBDE (Polybrominated diphenyl ethers) congener detected in the environment and in animal tissues.

Identifiers:

IUPAC Name: 2,4-dibromo-1-(2,4-dibromophenoxy)benzene
CAS Number: 5436-43-1
PubChem ID: 95170
InChiKey: XYBSIYMGXVUVGY-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₆Br₄O
Molecular Weight: 485.79

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 17

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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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