Pentabromobenzene

Synonyms: Pentabromobenzene, "1,2,3,4,5-pentabromobenzene".

Source: Pentabromobenzene is a flame retardant.

Identifiers:

IUPAC Name: 1,2,3,4,5-pentabromobenzene
CAS Number: 608-90-2
PubChem ID: 11854
InChiKey: LLVVSBBXENOOQY-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=C(C(=C1Br)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C₆HBr₅
Molecular Weight: 472.59

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 11

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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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