ChemSpider 2D Image | (1R,3S,4S,6E)-2,2,3-Trichloro-6-(chloromethylene)-5,5-bis(dichloromethyl)bicyclo[2.2.1]heptane | C10H8Cl8

(1R,3S,4S,6E)-2,2,3-Trichloro-6-(chloromethylene)-5,5-bis(dichloromethyl)bicyclo[2.2.1]heptane

  • Molecular FormulaC10H8Cl8
  • Average mass411.794 Da
  • Monoisotopic mass407.813416 Da
  • ChemSpider ID24591723

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3S,4S,6E)-2,2,3-Trichlor-6-(chlormethylen)-5,5-bis(dichlormethyl)bicyclo[2.2.1]heptan [German] [ACD/IUPAC Name]
(1R,3S,4S,6E)-2,2,3-Trichloro-6-(chloromethylene)-5,5-bis(dichloromethyl)bicyclo[2.2.1]heptane [ACD/IUPAC Name]
(1R,3S,4S,6E)-2,2,3-Trichloro-6-(chlorométhylène)-5,5-bis(dichlorométhyl)bicyclo[2.2.1]heptane [French] [ACD/IUPAC Name]
165820-14-4 [RN]
Bicyclo[2.2.1]heptane, 2,2,3-trichloro-6-(chloromethylene)-5,5-bis(dichloromethyl)-, (1R,3S,4S,6E)- [ACD/Index Name]
(1R,3S,4S,6E)-2,2,3-trichloro-6-(chloromethylene)-5,5-bis(dichloromethyl)norbornane
(1R,3S,4S,6E)-rel-2,2,3-Trichloro-6-(chloromethylene)-5,5-bis(dichloromethyl)bicyclo(2.2.1)heptane
Parlar 31
Toxaphene Parlar-No. 31, ca.1 µg/mL in Cyclohexane

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

Density: 1.7±0.1 g/cm3
Boiling Point: 461.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 236.6±24.7 °C
Index of Refraction: 1.587
Molar Refractivity: 82.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15350.97
ACD/KOC (pH 5.5): 34516.24
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15350.97
ACD/KOC (pH 7.4): 34516.24
Polar Surface Area: 0 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 245.6±5.0 cm3

Click to predict properties on the Chemicalize site


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