Found 682 results

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

4-{[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzonitrile

  • Molecular FormulaC12H8F3N3
  • Average mass251.207 Da
  • Monoisotopic mass251.067032 Da
  • ChemSpider ID33962266

More details:

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

4-{[3-(Trifluormethyl)-1H-pyrazol-1-yl]methyl}benzonitril [German] [ACD/IUPAC Name]
4-{[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzonitrile [ACD/IUPAC Name]
4-{[3-(Trifluorométhyl)-1H-pyrazol-1-yl]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]- [ACD/Index Name]
1270943-96-8 [RN]
MFCD16220244

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

Density: 1.3±0.1 g/cm3
Boiling Point: 375.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 180.6±27.9 °C
Index of Refraction: 1.546
Molar Refractivity: 61.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.70
ACD/KOC (pH 5.5): 476.51
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.70
ACD/KOC (pH 7.4): 476.51
Polar Surface Area: 42 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 38.0±7.0 dyne/cm
Molar Volume: 195.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement