1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane

Synonyms: hexachlorocyclopentadienyl-dibromocyclooctane, "HCDBCO"

Source: HCDBCO is a commercial brominated flame retardant (BFR) used in styrenic polymers.

Identifiers:

IUPAC Name: 1,1-dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane
CAS Number: N/A
PubChem ID: 129845854
InChiKey: OZQOUGTVRWVFRK-UHFFFAOYSA-N
Canonical SMILES: C1CC(C(C(C(C(C1)(Br)Br)(C2C=CC=C2)Cl)(Cl)Cl)(Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₃H₁₂Br₂Cl₆
Molecular Weight: 540.8

Pharmacophore Features:

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

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2D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Garcia-Jares, C., Regueiro, J., Barro, R., Dagnac, T., Llompart, M. (2009). Analysis of industrial contaminants in indoor air. Part 2. Emergent contaminants and pesticides. Journal of Chromatography A, 1216, 567?597.

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2D-structure

3D-structure