ChemSpider 2D Image | (1r,2r,3r,4r,5r,6r)-1,2,3,4,5,6-Hexabromocyclohexane | C6H6Br6

(1r,2r,3r,4r,5r,6r)-1,2,3,4,5,6-Hexabromocyclohexane

  • Molecular FormulaC6H6Br6
  • Average mass557.536 Da
  • Monoisotopic mass551.556946 Da
  • ChemSpider ID10529284

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1r,2r,3r,4r,5r,6r)-1,2,3,4,5,6-Hexabromcyclohexan [German] [ACD/IUPAC Name]
(1r,2r,3r,4r,5r,6r)-1,2,3,4,5,6-Hexabromocyclohexane [ACD/IUPAC Name]
(1r,2r,3r,4r,5r,6r)-1,2,3,4,5,6-Hexabromocyclohexane [French] [ACD/IUPAC Name]
Cyclohexane, 1,2,3,4,5,6-hexabromo-, (1α,2β,3α,4β,5α,6β)- [ACD/Index Name]

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

Density: 2.9±0.1 g/cm3
Boiling Point: 388.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.3±3.0 kJ/mol
Flash Point: 183.4±22.6 °C
Index of Refraction: 1.699
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1888.59
ACD/KOC (pH 5.5): 7702.93
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1888.59
ACD/KOC (pH 7.4): 7702.93
Polar Surface Area: 0 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 192.6±3.0 cm3

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