ChemSpider 2D Image | 4-Chloro-1-methyl-1H-1,2,3-triazole 3-oxide | C3H4ClN3O

4-Chloro-1-methyl-1H-1,2,3-triazole 3-oxide

  • Molecular FormulaC3H4ClN3O
  • Average mass133.536 Da
  • Monoisotopic mass133.004288 Da
  • ChemSpider ID73959822

More details:

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

1H-1,2,3-Triazole, 4-chloro-1-methyl-, 3-oxide [ACD/Index Name]
3-Oxyde de 4-chloro-1-méthyl-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
4-Chlor-1-methyl-1H-1,2,3-triazol-3-oxid [German] [ACD/IUPAC Name]
4-Chloro-1-methyl-1H-1,2,3-triazole 3-oxide [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 264.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.2±3.0 kJ/mol
Flash Point: 113.6±25.1 °C
Index of Refraction: 1.634
Molar Refractivity: 30.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.63
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.63
Polar Surface Area: 43 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 84.0±7.0 cm3

Click to predict properties on the Chemicalize site


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