ChemSpider 2D Image | (5-~2~H)-1H-1,2,4-Triazole | C2H2DN3

(5-2H)-1H-1,2,4-Triazole

  • Molecular FormulaC2H2DN3
  • Average mass70.072 Da
  • Monoisotopic mass70.038971 Da
  • ChemSpider ID57619878
  • Non-standard isotope - Non-standard isotope


More details:






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

(5-2H)-1H-1,2,4-Triazol [German] [ACD/IUPAC Name]
(5-2H)-1H-1,2,4-Triazole [ACD/IUPAC Name]
(5-2H)-1H-1,2,4-Triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-5-d [ACD/Index Name]
39787-02-5 [RN]
3-deuterio-1H-[1,2,4]triazole

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 260.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 139.1±11.7 °C
Index of Refraction: 1.535
Molar Refractivity: 16.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.48
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.52
Polar Surface Area: 42 Å2
Polarizability: 6.7±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 54.2±3.0 cm3

Click to predict properties on the Chemicalize site






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