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

Synonyms: PBDE No. 190, "2,3,3',4,4,',5,6-heptabromodiphenyl ether", "BDE-190", "2,3,3,4,4,5,6-heptabromodiphenyl ether".

Source: 2,3,3',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: 1,2,3,4,5-pentabromo-6-(3,4-dibromophenoxy)benzene
CAS Number: 189084-68-2
PubChem ID: 12110099
InChiKey: OUEYHQIMJGHOQN-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C=C1OC2=C(C(=C(C(=C2Br)Br)Br)Br)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

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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