ChemSpider 2D Image | 1-Methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile | C6H4F3N3

1-Methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile

  • Molecular FormulaC6H4F3N3
  • Average mass175.111 Da
  • Monoisotopic mass175.035736 Da
  • ChemSpider ID60972354

More details:

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

1823935-36-9 [RN]
1H-Pyrazole-3-carbonitrile, 1-methyl-4-(trifluoromethyl)- [ACD/Index Name]
1-Methyl-4-(trifluormethyl)-1H-pyrazol-3-carbonitril [German] [ACD/IUPAC Name]
1-Methyl-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile [ACD/IUPAC Name]
1-Méthyl-4-(trifluorométhyl)-1H-pyrazole-3-carbonitrile [French] [ACD/IUPAC Name]
MFCD26518974

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

Density: 1.4±0.1 g/cm3
Boiling Point: 244.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 101.6±25.9 °C
Index of Refraction: 1.491
Molar Refractivity: 36.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 76.79
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 3.02
ACD/KOC (pH 7.4): 76.79
Polar Surface Area: 42 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 32.1±7.0 dyne/cm
Molar Volume: 126.1±7.0 cm3

Click to predict properties on the Chemicalize site


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