2,3,4,5,6-Pentabromoethylbenzene

Synonyms: 2,3,4,5,6-Pentabromoethylbenzene, "Pentabromoethylbenzene", "1,2,3,4,5-Pentabromo-6-ethylbenzene".

Source: 2,3,4,5,6-Pentabromoethylbenzene is a flame retardant.

Identifiers:

IUPAC Name: 1,2,3,4,5-pentabromo-6-ethylbenzene
CAS Number: 85-22-3
PubChem ID: 6800
InChiKey: FIAXCDIQXHJNIX-UHFFFAOYSA-N
Canonical SMILES: CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C₈H₅Br₅
Molecular Weight: 500.64

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 13

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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.

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