ChemSpider 2D Image | 2-METHYL-5-NITROPYRAZOLE-3-CARBONITRILE | C5H4N4O2

2-METHYL-5-NITROPYRAZOLE-3-CARBONITRILE

  • Molecular FormulaC5H4N4O2
  • Average mass152.111 Da
  • Monoisotopic mass152.033432 Da
  • ChemSpider ID28608003

More details:

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

1245771-75-8 [RN]
1H-Pyrazole-5-carbonitrile, 1-methyl-3-nitro- [ACD/Index Name]
1-Methyl-3-nitro-1H-pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
1-Methyl-3-nitro-1H-pyrazole-5-carbonitrile [ACD/IUPAC Name]
1-Méthyl-3-nitro-1H-pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
2-METHYL-5-NITROPYRAZOLE-3-CARBONITRILE
2-Methyl-5-nitro-2H-pyrazole-3-carbonitrile
MFCD18374170

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

Density: 1.5±0.1 g/cm3
Boiling Point: 307.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.8±3.0 kJ/mol
Flash Point: 139.5±23.7 °C
Index of Refraction: 1.662
Molar Refractivity: 37.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.54
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.29
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.29
Polar Surface Area: 87 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 68.9±7.0 dyne/cm
Molar Volume: 101.2±7.0 cm3

Click to predict properties on the Chemicalize site


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