beta-hexabromocyclododecane

Synonyms: "beta-HBCD", "(-)-beta-HBCD".

Source: beta-hexabromocyclododecane is an isomer of hexabromocyclododecane, which is used is used as a flame retardant for expandable polystyrene, polyurethane, plastics, paper and textiles.

Identifiers:

IUPAC Name: (1R,2R,5S,6R,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane
CAS Number: 134237-51-7
PubChem ID: 13040187
InChiKey: DEIGXXQKDWULML-UFVWWTPHSA-N
Canonical SMILES: C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br

Structural Properties:

Molecular Formula: C₁₂H₁₈Br₆
Molecular Weight: 641.700

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Hamers T, Kamstra JH, Sonneveld E, Murk AJ, Kester MH, Andersson PL, Legler J, Brouwer A. 2006. In vitro profiling of the endocrine-disrupting potency of brominated flame retardants. Toxicol Sci 92(1):157-173. DOI: 10.1093/toxsci/kfj187. URL: https://academic.oup.com/toxsci/article/92/1/157/1642946.