ChemSpider 2D Image | 4-Chloro-1-(2-propyn-1-yl)-1H-pyrazole | C6H5ClN2

4-Chloro-1-(2-propyn-1-yl)-1H-pyrazole

  • Molecular FormulaC6H5ClN2
  • Average mass140.570 Da
  • Monoisotopic mass140.014130 Da
  • ChemSpider ID25999934

More details:

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

1251029-14-7 [RN]
1H-Pyrazole, 4-chloro-1-(2-propyn-1-yl)- [ACD/Index Name]
4-Chlor-1-(2-propin-1-yl)-1H-pyrazol [German] [ACD/IUPAC Name]
4-Chloro-1-(2-propyn-1-yl)-1H-pyrazole [ACD/IUPAC Name]
4-Chloro-1-(2-propyn-1-yl)-1H-pyrazole [French] [ACD/IUPAC Name]
4-chloro-1-(prop-2-yn-1-yl)-1H-pyrazole
MFCD14638461 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 213.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.1±3.0 kJ/mol
Flash Point: 82.9±21.8 °C
Index of Refraction: 1.541
Molar Refractivity: 39.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 8.01
ACD/KOC (pH 5.5): 154.30
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 8.01
ACD/KOC (pH 7.4): 154.30
Polar Surface Area: 18 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 36.9±7.0 dyne/cm
Molar Volume: 124.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement