ChemSpider 2D Image | 4-(3,5-DIMETHYLPYRAZOL-1-YL)BENZONITRILE | C12H11N3

4-(3,5-DIMETHYLPYRAZOL-1-YL)BENZONITRILE

  • Molecular FormulaC12H11N3
  • Average mass197.236 Da
  • Monoisotopic mass197.095291 Da
  • ChemSpider ID21473115

More details:






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

4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitril [German] [ACD/IUPAC Name]
4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzonitrile [ACD/IUPAC Name]
4-(3,5-Diméthyl-1H-pyrazol-1-yl)benzonitrile [French] [ACD/IUPAC Name]
4-(3,5-DIMETHYLPYRAZOL-1-YL)BENZONITRILE
56935-79-6 [RN]
Benzonitrile, 4-(3,5-dimethyl-1H-pyrazol-1-yl)- [ACD/Index Name]
1-(4-Cyanophenyl)-3,5-dimethyl-1H-pyrazole
1-(4-cyanophenyl)-3,5-dimethylpyrazole
14006-32-7 [RN]
4-(3,5-Dimethyl-pyrazol-1-yl)-benzonitrile
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 343.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 161.4±24.6 °C
Index of Refraction: 1.600
Molar Refractivity: 61.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.86
ACD/KOC (pH 5.5): 495.42
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.86
ACD/KOC (pH 7.4): 495.43
Polar Surface Area: 42 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 179.3±7.0 cm3

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