2,2',3,4,4',5,5',6-Octabromodiphenyl ether

Synonyms: 2,2',3,4,4',5,5',6-Octabromodiphenyl ether, "BDE 203", "Tardex 80", "Octabromodiphenyl oxide", "Octabromodiphenyl ether", "EB 8", "PBDE 203", "HSDB 7110", "DE 79", "CD 79"

Source: 2,2',3,4,4',5,5',6-Octabromodiphenyl 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: 1,2,3,4,5-pentabromo-6-(2,4,5-tribromophenoxy)benzene
CAS Number: 337513-72-1
PubChem ID: 36160
InChiKey: RTUZOQFRIPIWPS-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=CC(=C1Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₂Br₈O
Molecular Weight: 801,400

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 21

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Evidence Supporting This Chemical as an Emerging Contaminant

Chao, H. R., Que, D. E., Gou, Y. Y., Chuang, C. Y., Chang, T. Y., & Hsu, Y. C. (2016). Indoor and outdoor concentrations of polybrominated diphenyl ethers on respirable particulate in central and southern Taiwan. Aerosol Air Qual. Res, 16, 3187-3197.

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