nonabromodiphenyl ether

Synonyms: Nonabromodiphenyl ether, "Nonabromophenoxybenzene", "Nonabromodiphenyl oxide", "PBDE 206".

Source: nonabromodiphenyl ether belongs to polybrominated diphenyl ethers (PBDEs), which are a class of recalcitrant and bioaccumulative halogenated compounds that have emerged as a major environmental pollutant. PBDEs are used as a flame-retardant and are found in consumer goods such as electrical equipment, construction materials, coatings, textiles and polyurethane foam (furniture padding).

Identifiers:

IUPAC Name: 1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene
CAS Number: 139749-52-3
PubChem ID: 45472
InChiKey: CYRHBNRLQMLULE-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C₁₂HBr₉O
Molecular Weight: 880.28

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 22

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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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