ChemSpider 2D Image | 3,4,5-Trinitro-1H-pyrazole | C3HN5O6

3,4,5-Trinitro-1H-pyrazole

  • Molecular FormulaC3HN5O6
  • Average mass203.070 Da
  • Monoisotopic mass202.992676 Da
  • ChemSpider ID26948004

More details:






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

1H-Pyrazole, 3,4,5-trinitro- [ACD/Index Name]
3,4,5-Trinitro-1H-pyrazol [German] [ACD/IUPAC Name]
3,4,5-Trinitro-1H-pyrazole [ACD/IUPAC Name]
3,4,5-Trinitro-1H-pyrazole [French] [ACD/IUPAC Name]
3,4,5-trinitropyrazole
3,4,5-trinitro-pyrazole
trinitropyrazole

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

Density: 2.1±0.1 g/cm3
Boiling Point: 581.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 305.3±28.7 °C
Index of Refraction: 1.727
Molar Refractivity: 38.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 132.6±3.0 dyne/cm
Molar Volume: 96.5±3.0 cm3

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