ChemSpider 2D Image | (2S,3S)-2-Chloro-3-(chloromethyl)oxirane | C3H4Cl2O

(2S,3S)-2-Chloro-3-(chloromethyl)oxirane

  • Molecular FormulaC3H4Cl2O
  • Average mass126.969 Da
  • Monoisotopic mass125.963921 Da
  • ChemSpider ID33286950

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2-Chlor-3-(chlormethyl)oxiran [German] [ACD/IUPAC Name]
(2S,3S)-2-Chloro-3-(chloromethyl)oxirane [ACD/IUPAC Name]
(2S,3S)-2-Chloro-3-(chlorométhyl)oxirane [French] [ACD/IUPAC Name]
Oxirane, 2-chloro-3-(chloromethyl)-, (2S,3S)- [ACD/Index Name]
66826-73-1 [RN]
trans-2-Chloro-3-(chloromethyl)oxirane

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

Density: 1.4±0.1 g/cm3
Boiling Point: 173.4±30.0 °C at 760 mmHg
Vapour Pressure: 1.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.3±3.0 kJ/mol
Flash Point: 151.8±23.9 °C
Index of Refraction: 1.474
Molar Refractivity: 25.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 35.30
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 35.30
Polar Surface Area: 13 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 32.6±5.0 dyne/cm
Molar Volume: 89.8±5.0 cm3

Click to predict properties on the Chemicalize site


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