2,2',4,4',5,6'-Hexabromodiphenyl ether

Synonyms: 2,2',4,4',5,6'-Hexabromodiphenyl ether,"PBDE 154", "BDE-154", "1,3,5-tribromo-2-(2,4,5-tribromophenoxy)benzene", "PBED 154", "hexabromodiphenyl ether 154".

Source: 2,2',4,4',5,6'-Hexabromodiphenyl ether is a PBDE (Polybrominated diphenyl ether) congener. PBDEs are flame-retardant man-made chemicals found in plastics used in a variety of consumer products to make them difficult to burn.

Identifiers:

IUPAC Name: 1,2,4-tribromo-5-(2,4,6-tribromophenoxy)benzene
CAS Number: 207122-15-4
PubChem ID: 15509898
InChiKey: VHNPZYZQKWIWOD-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C(C(=C1Br)OC2=CC(=C(C=C2Br)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₄Br₆O
Molecular Weight: 643.6

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 19

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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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