Found 1110 results

Search term: MF = 'C_{11}H_{8}ClN_{3}'
ChemSpider 2D Image | 4-(5-Chloro-3-methyl-1H-pyrazol-1-yl)benzonitrile | C11H8ClN3

4-(5-Chloro-3-methyl-1H-pyrazol-1-yl)benzonitrile

  • Molecular FormulaC11H8ClN3
  • Average mass217.654 Da
  • Monoisotopic mass217.040680 Da
  • ChemSpider ID30255018

More details:

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

1423029-19-9 [RN]
4-(5-Chlor-3-methyl-1H-pyrazol-1-yl)benzonitril [German] [ACD/IUPAC Name]
4-(5-Chloro-3-methyl-1H-pyrazol-1-yl)benzonitrile [ACD/IUPAC Name]
4-(5-Chloro-3-méthyl-1H-pyrazol-1-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(5-chloro-3-methyl-1H-pyrazol-1-yl)- [ACD/Index Name]
MFCD21667611

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

Density: 1.3±0.1 g/cm3
Boiling Point: 366.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 175.2±25.1 °C
Index of Refraction: 1.627
Molar Refractivity: 61.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.21
ACD/KOC (pH 5.5): 866.39
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.21
ACD/KOC (pH 7.4): 866.39
Polar Surface Area: 42 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 173.4±7.0 cm3

Click to predict properties on the Chemicalize site


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