ChemSpider 2D Image | 4H-1,2,4-Triazol-4-ylacetonitrile | C4H4N4

4H-1,2,4-Triazol-4-ylacetonitrile

  • Molecular FormulaC4H4N4
  • Average mass108.101 Da
  • Monoisotopic mass108.043594 Da
  • ChemSpider ID30994590

More details:

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

4H-1,2,4-Triazol-4-ylacetonitril [German] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-ylacetonitrile [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-ylacétonitrile [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-4-acetonitrile [ACD/Index Name]
1204193-90-7 [RN]
2-(4H-1,2,4-triazol-4-yl)acetonitrile
MFCD16702918

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

Density: 1.3±0.1 g/cm3
Boiling Point: 312.9±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.4±3.0 kJ/mol
Flash Point: 143.0±28.4 °C
Index of Refraction: 1.634
Molar Refractivity: 30.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.39
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.09
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.10
Polar Surface Area: 55 Å2
Polarizability: 12.1±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 85.1±7.0 cm3

Click to predict properties on the Chemicalize site


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