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

Synonyms: 2,2',3,4,4',5,6,6'-octabromodiphenyl ether, "1,2,3,4,5-pentabromo-6-(2,4,6-tribromophenoxy)benzene", "BDE 204".

Source: 2,2',3,4,4',5,6,6'-Octabromodiphenyl 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: 1,2,3,4,5-pentabromo-6-(2,4,6-tribromophenoxy)benzene
CAS Number: 446255-54-5
PubChem ID: 53485722
InChiKey: YZABCBOJTHQTSX-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C(C(=C1Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₂Br₈O
Molecular Weight: 801.4

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

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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