ChemSpider 2D Image | 6-(2-Chlorophenyl)-2-sulfanyl-4-(trifluoromethyl)nicotinonitrile | C13H6ClF3N2S

6-(2-Chlorophenyl)-2-sulfanyl-4-(trifluoromethyl)nicotinonitrile

  • Molecular FormulaC13H6ClF3N2S
  • Average mass314.713 Da
  • Monoisotopic mass313.989227 Da
  • ChemSpider ID53609332

More details:

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

3-Pyridinecarbonitrile, 6-(2-chlorophenyl)-2-mercapto-4-(trifluoromethyl)- [ACD/Index Name]
6-(2-Chlorophenyl)-2-sulfanyl-4-(trifluoromethyl)nicotinonitrile [ACD/IUPAC Name]
6-(2-Chlorophényl)-2-sulfanyl-4-(trifluorométhyl)nicotinonitrile [French] [ACD/IUPAC Name]
6-(2-Chlorphenyl)-2-sulfanyl-4-(trifluormethyl)nicotinonitril [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 433.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.9±3.0 kJ/mol
Flash Point: 215.7±28.7 °C
Index of Refraction: 1.598
Molar Refractivity: 71.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 12.25
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 5.06
Polar Surface Area: 75 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 209.6±5.0 cm3

Click to predict properties on the Chemicalize site


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