ChemSpider 2D Image | 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde | C11H7F3N2O

1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

  • Molecular FormulaC11H7F3N2O
  • Average mass240.181 Da
  • Monoisotopic mass240.051041 Da
  • ChemSpider ID26324346

More details:

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

1185292-86-7 [RN]
1H-Pyrazole-4-carboxaldehyde, 1-phenyl-3-(trifluoromethyl)- [ACD/Index Name]
1-Phenyl-3-(trifluormethyl)-1H-pyrazol-4-carbaldehyd [German] [ACD/IUPAC Name]
1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde [ACD/IUPAC Name]
1-Phényl-3-(trifluorométhyl)-1H-pyrazole-4-carbaldéhyde [French] [ACD/IUPAC Name]
[1185292-86-7] [RN]
1-Phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
1-Phenyl-3-trifluoromethyl-1H-pyrazole-4-carbaldehyde
3-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
MFCD11707233 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 325.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.5±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 56.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 47.13
ACD/KOC (pH 5.5): 548.74
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 47.13
ACD/KOC (pH 7.4): 548.74
Polar Surface Area: 35 Å2
Polarizability: 22.3±0.5 10-24cm3
Surface Tension: 37.5±7.0 dyne/cm
Molar Volume: 179.6±7.0 cm3

Click to predict properties on the Chemicalize site


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