ChemSpider 2D Image | (+)-gamma-HBCD | C12H18Br6

(+)-γ-HBCD

  • Molecular FormulaC12H18Br6
  • Average mass641.695 Da
  • Monoisotopic mass635.650818 Da
  • ChemSpider ID9552127

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(+)-γ-HBCD
(+)-γ-Hexabromocyclododecane
(1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-Hexabromcyclododecan [German] [ACD/IUPAC Name]
(1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-Hexabromocyclododecane [ACD/IUPAC Name]
(1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-Hexabromocyclododécane [French] [ACD/IUPAC Name]
134237-52-8 [RN]
678970-17-7 [RN]
Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5R,6S,9S,10R)- [ACD/Index Name]
γ-Hexabromocyclododecane
(1R,2R,5R,6S,9S,10R)-rel-1,2,5,6,9,10-Hexabromocyclododecane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

11I055K0BP [DBID]
O1Y9J11RMU [DBID]
UNII:O1Y9J11RMU [DBID]
UNII:11I055K0BP [DBID]
UNII-11I055K0BP [DBID]
UNII-O1Y9J11RMU [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 2.1±0.1 g/cm3
    Boiling Point: 505.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.6±3.0 kJ/mol
    Flash Point: 249.5±24.8 °C
    Index of Refraction: 1.598
    Molar Refractivity: 102.1±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 2
    ACD/LogP: 6.63
    ACD/LogD (pH 5.5): 6.41
    ACD/BCF (pH 5.5): 43530.96
    ACD/KOC (pH 5.5): 72783.73
    ACD/LogD (pH 7.4): 6.41
    ACD/BCF (pH 7.4): 43530.96
    ACD/KOC (pH 7.4): 72783.73
    Polar Surface Area: 0 Å2
    Polarizability: 40.5±0.5 10-24cm3
    Surface Tension: 47.7±3.0 dyne/cm
    Molar Volume: 299.0±3.0 cm3

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