ChemSpider 2D Image | 1-Methyl-5-(trifluoromethyl)-1H-imidazole-2-carbonitrile | C6H4F3N3

1-Methyl-5-(trifluoromethyl)-1H-imidazole-2-carbonitrile

  • Molecular FormulaC6H4F3N3
  • Average mass175.111 Da
  • Monoisotopic mass175.035736 Da
  • ChemSpider ID60848551

More details:

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

1H-Imidazole-2-carbonitrile, 1-methyl-5-(trifluoromethyl)- [ACD/Index Name]
1-Methyl-5-(trifluormethyl)-1H-imidazol-2-carbonitril [German] [ACD/IUPAC Name]
1-Methyl-5-(trifluoromethyl)-1H-imidazole-2-carbonitrile [ACD/IUPAC Name]
1-Méthyl-5-(trifluorométhyl)-1H-imidazole-2-carbonitrile [French] [ACD/IUPAC Name]
1359996-83-0 [RN]
MFCD23161404

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

Density: 1.4±0.1 g/cm3
Boiling Point: 237.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.4±3.0 kJ/mol
Flash Point: 97.2±30.1 °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: 0.45
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.22
ACD/KOC (pH 5.5): 40.22
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 40.22
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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