ChemSpider 2D Image | 5-Isocyanato-1-methyl-4-nitro-1H-pyrazole | C5H4N4O3

5-Isocyanato-1-methyl-4-nitro-1H-pyrazole

  • Molecular FormulaC5H4N4O3
  • Average mass168.110 Da
  • Monoisotopic mass168.028336 Da
  • ChemSpider ID37550746

More details:

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

1H-Pyrazole, 5-isocyanato-1-methyl-4-nitro- [ACD/Index Name]
5-Isocyanato-1-methyl-4-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
5-Isocyanato-1-methyl-4-nitro-1H-pyrazole [ACD/IUPAC Name]
5-Isocyanato-1-méthyl-4-nitro-1H-pyrazole [French] [ACD/IUPAC Name]
1522109-52-9 [RN]
MFCD26679253

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

Density: 1.6±0.1 g/cm3
Boiling Point: 313.2±27.0 °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: 143.2±23.7 °C
Index of Refraction: 1.662
Molar Refractivity: 39.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.53
ACD/KOC (pH 5.5): 147.63
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.53
ACD/KOC (pH 7.4): 147.63
Polar Surface Area: 93 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 71.7±7.0 dyne/cm
Molar Volume: 106.5±7.0 cm3

Click to predict properties on the Chemicalize site


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