ChemSpider 2D Image | 3,5-Dinitro-4-(2-nitroethyl)-4H-1,2,4-triazole | C4H4N6O6

3,5-Dinitro-4-(2-nitroethyl)-4H-1,2,4-triazole

  • Molecular FormulaC4H4N6O6
  • Average mass232.111 Da
  • Monoisotopic mass232.019226 Da
  • ChemSpider ID67168090

More details:

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

3,5-Dinitro-4-(2-nitroethyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3,5-Dinitro-4-(2-nitroethyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
3,5-Dinitro-4-(2-nitroéthyl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3,5-dinitro-4-(2-nitroethyl)- [ACD/Index Name]
4-(2'-nitroethyl)-3,5-dinitro-1,2,4-triazole

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

Density: 2.2±0.1 g/cm3
Boiling Point: 603.0±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.5±32.1 °C
Index of Refraction: 1.816
Molar Refractivity: 45.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.40
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.24
Polar Surface Area: 168 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 145.1±7.0 dyne/cm
Molar Volume: 104.9±7.0 cm3

Click to predict properties on the Chemicalize site


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