Chem
J-GLOBAL ID：200907036133914581   Nikkaji number：J1.925.614F

(-)-α-HBCD

(-)-α-ヘキサブロモシクロドデカン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H18Br6
Molecular formula furigana： C12-H18-BR6
Molecular weight： 641.700
InChI： InChI=1S/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-/m1/s1
InChI key： DEIGXXQKDWULML-SWBCGBOASA-N
SMILES： BrC1CC[C@@H](Br)[C@H](Br)CC[C@H](Br)[C@H](Br)CC[C@H]1Br
Systematic name  (4)：
  • (1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-ヘキサブロモシクロドデカン
  • (1R,2S,5R,6R,9S,10R)-1,2,5,6,9,10-ヘキサブロモシクロドデカン
  • (1R,2R,5S,6R,9R,10S)-1β,2α,5α,6α,9β,10β-ヘキサブロモシクロドデカン
  • (1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-hexabromocyclododecane
Other name (6)：
  • (1R,2R,5S,6R,9R,10S)-1,2,5,6,9,10-Hexabromocyclododecane
  • (1R,2S,5R,6R,9S,10R)-1,2,5,6,9,10-Hexabromocyclododecane
  • (1R,2R,5S,6R,9R,10S)-1β,2α,5α,6α,9β,10β-Hexabromocyclododecane
  • (-)-α-HBCD
  • (-)-α-ヘキサブロモシクロドデカン
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CAS registry number： 678970-15-5
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