2,2',3,4,4',5',6-heptabromodiphenyl ether
Synonyms: 2,2',3,4,4',5',6-heptabromodiphenyl ether, "BDE 183", "PBDE 183", "BDE-183", "2,2',3,4,4',5',6-heptabromodiphenylether", "C18140", "J-013540", "1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)-benzene".
Source: 2,2',3,4,4',5',6-heptabromodiphenyl ether is a PBDE (Polybrominated diphenyl ethers) 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: 1,2,3,5-tetrabromo-4-(2,4,5-tribromophenoxy)benzene
CAS Number: 207122-16-5
PubChem ID: 15509899
InChiKey: ILPSCQCLBHQUEM-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=CC(=C1Br)Br)Br)OC2=C(C(=C(C=C2Br)Br)Br)Br
Structural Properties:
Molecular Formula: C12H3Br7O
Molecular Weight: 722.48
Pharmacophore Features:
Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 20
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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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