Found 682 results

Search term: MF = 'C_{12}H_{8}F_{3}N_{3}'
ChemSpider 2D Image | 4-(3-Methyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)benzonitrile | C12H8F3N3

4-(3-Methyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)benzonitrile

  • Molecular FormulaC12H8F3N3
  • Average mass251.207 Da
  • Monoisotopic mass251.067032 Da
  • ChemSpider ID40562065

More details:

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

220462-01-1 [RN]
4-(3-Methyl-1H-pyrazol-1-yl)-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-(3-Methyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-(3-Méthyl-1H-pyrazol-1-yl)-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(3-methyl-1H-pyrazol-1-yl)-2-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 345.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 162.6±27.9 °C
Index of Refraction: 1.547
Molar Refractivity: 61.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.08
ACD/KOC (pH 5.5): 851.54
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.08
ACD/KOC (pH 7.4): 851.54
Polar Surface Area: 42 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 36.3±7.0 dyne/cm
Molar Volume: 194.3±7.0 cm3

Click to predict properties on the Chemicalize site


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