CAS Registry Number®
134237-51-7
CAS Name
β-HBCD
Molecular Formula
C12H18Br6
Molecular Mass
641.69
Other Names and Identifiers
InChI
InChI=1/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11+,12-/s2
InChIKey
InChIKey=DEIGXXQKDWULML-FOUKJZKRNA-N
SMILES
Br[C@H]1[C@H](Br)CC[C@@H](Br)[C@@H](Br)CC[C@@H](Br)[C@@H](Br)CC1
Canonical SMILES
BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br
Other Names for this Substance
- Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5R,6R,9R,10S)-rel–
- Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R*,2R*,5R*,6S*,9R*,10S*)-
- rel-(1R,2S,5R,6R,9R,10S)-1,2,5,6,9,10-Hexabromocyclododecane
- β-HBCD
- β-Hexabromocyclododecane
