ChemSpider 2D Image | 4-Chloro-1-(4-chloro-2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-3-carbonitrile | C11H5Cl2F3N4

4-Chloro-1-(4-chloro-2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-3-carbonitrile

  • Molecular FormulaC11H5Cl2F3N4
  • Average mass321.085 Da
  • Monoisotopic mass319.984344 Da
  • ChemSpider ID122047458

More details:

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

1H-Pyrazole-3-carbonitrile, 4-chloro-1-(4-chloro-2-methyl-3-pyridinyl)-5-(trifluoromethyl)- [ACD/Index Name]
4-Chlor-1-(4-chlor-2-methyl-3-pyridinyl)-5-(trifluormethyl)-1H-pyrazol-3-carbonitril [German] [ACD/IUPAC Name]
4-Chloro-1-(4-chloro-2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-pyrazole-3-carbonitrile [ACD/IUPAC Name]
4-Chloro-1-(4-chloro-2-méthyl-3-pyridinyl)-5-(trifluorométhyl)-1H-pyrazole-3-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 427.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 212.2±28.7 °C
Index of Refraction: 1.604
Molar Refractivity: 69.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.54
ACD/KOC (pH 5.5): 1440.54
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.62
ACD/KOC (pH 7.4): 1441.18
Polar Surface Area: 55 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 201.5±7.0 cm3

Click to predict properties on the Chemicalize site


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