ChemSpider 2D Image | (1S,3S,4R)-2,2,3,5,5-Pentachloro-7,7-bis(chloromethyl)-1-(dichloromethyl)bicyclo[2.2.1]heptane | C10H9Cl9

(1S,3S,4R)-2,2,3,5,5-Pentachloro-7,7-bis(chloromethyl)-1-(dichloromethyl)bicyclo[2.2.1]heptane

  • Molecular FormulaC10H9Cl9
  • Average mass448.255 Da
  • Monoisotopic mass443.790100 Da
  • ChemSpider ID23253817

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3S,4R)-2,2,3,5,5-Pentachlor-7,7-bis(chlormethyl)-1-(dichlormethyl)bicyclo[2.2.1]heptan [German] [ACD/IUPAC Name]
(1S,3S,4R)-2,2,3,5,5-Pentachloro-7,7-bis(chloromethyl)-1-(dichloromethyl)bicyclo[2.2.1]heptane [ACD/IUPAC Name]
(1S,3S,4R)-2,2,3,5,5-Pentachloro-7,7-bis(chlorométhyl)-1-(dichlorométhyl)bicyclo[2.2.1]heptane [French] [ACD/IUPAC Name]
165820-20-2 [RN]
Bicyclo[2.2.1]heptane, 2,2,3,5,5-pentachloro-7,7-bis(chloromethyl)-1-(dichloromethyl)-, (1S,3S,4R)- [ACD/Index Name]
(1S,3S,4R)-2,2,3,5,5-pentachloro-7,7-bis(chloromethyl)-1-(dichloromethyl)norbornane
bornane, 2,2,3-exo,5,5,8,9,10,10-nonachloro-
Toxaphene Parlar-No. 58, 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: 468.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 237.7±24.7 °C
Index of Refraction: 1.580
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32788.34
ACD/KOC (pH 5.5): 59420.43
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32788.34
ACD/KOC (pH 7.4): 59420.43
Polar Surface Area: 0 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 263.4±5.0 cm3

Click to predict properties on the Chemicalize site


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