ChemSpider 2D Image | 4-(Dimethylphosphoryl)-1H-pyrazole-3-carbaldehyde | C6H9N2O2P

4-(Dimethylphosphoryl)-1H-pyrazole-3-carbaldehyde

  • Molecular FormulaC6H9N2O2P
  • Average mass172.122 Da
  • Monoisotopic mass172.040161 Da
  • ChemSpider ID98509446

More details:

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

1H-Pyrazole-3-carboxaldehyde, 4-(dimethylphosphinyl)- [ACD/Index Name]
4-(Dimethylphosphoryl)-1H-pyrazol-3-carbaldehyd [German] [ACD/IUPAC Name]
4-(Dimethylphosphoryl)-1H-pyrazole-3-carbaldehyde [ACD/IUPAC Name]
4-(Diméthylphosphoryl)-1H-pyrazole-3-carbaldéhyde [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 493.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 252.0±28.7 °C
Index of Refraction: 1.498
Molar Refractivity: 39.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.69
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.35
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.43
Polar Surface Area: 73 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 134.7±5.0 cm3

Click to predict properties on the Chemicalize site


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