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

Synonyms: 2,2',3,3',4,5,5',6,6'-nonabromodiphenyl ether, "PBDE Congener No. 208", "PBDE 208", "1,2,3,4,5-Pentabromo-6-(2,3,5,6-tetrabromophenoxy)benzene".

Source: 2,2',3,3',4,5,5',6,6'-Nonabromodiphenyl 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-(2,3,5,6-tetrabromophenoxy)benzene
CAS Number: 437701-78-5
PubChem ID: 14149410
InChiKey: ASGZXYIDLFWXID-UHFFFAOYSA-N
Canonical SMILES: C1=C(C(=C(C(=C1Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C₁₂HBr₉O
Molecular Weight: 880.3

Pharmacophore Features:

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

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

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.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure