ChemSpider 2D Image | 2-(3-Amino-1H-pyrazol-1-yl)-5-chlorobenzonitrile | C10H7ClN4

2-(3-Amino-1H-pyrazol-1-yl)-5-chlorobenzonitrile

  • Molecular FormulaC10H7ClN4
  • Average mass218.642 Da
  • Monoisotopic mass218.035919 Da
  • ChemSpider ID27910050

More details:

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

2-(3-Amino-1H-pyrazol-1-yl)-5-chlorbenzonitril [German] [ACD/IUPAC Name]
2-(3-Amino-1H-pyrazol-1-yl)-5-chlorobenzonitrile [ACD/IUPAC Name]
2-(3-Amino-1H-pyrazol-1-yl)-5-chlorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(3-amino-1H-pyrazol-1-yl)-5-chloro- [ACD/Index Name]
1249223-99-1 [RN]
MFCD16769639

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

Density: 1.4±0.1 g/cm3
Boiling Point: 420.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 207.9±27.3 °C
Index of Refraction: 1.686
Molar Refractivity: 59.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.52
ACD/KOC (pH 5.5): 333.16
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.63
ACD/KOC (pH 7.4): 334.75
Polar Surface Area: 68 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 154.9±7.0 cm3

Click to predict properties on the Chemicalize site


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