ChemSpider 2D Image | 4-Cyano-1-[2-(methylsulfonyl)ethyl]-1H-pyrazole-5-sulfonyl chloride | C7H8ClN3O4S2

4-Cyano-1-[2-(methylsulfonyl)ethyl]-1H-pyrazole-5-sulfonyl chloride

  • Molecular FormulaC7H8ClN3O4S2
  • Average mass297.739 Da
  • Monoisotopic mass296.964478 Da
  • ChemSpider ID44368432

More details:

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

1H-Pyrazole-5-sulfonyl chloride, 4-cyano-1-[2-(methylsulfonyl)ethyl]- [ACD/Index Name]
4-Cyan-1-[2-(methylsulfonyl)ethyl]-1H-pyrazol-5-sulfonylchlorid [German] [ACD/IUPAC Name]
4-Cyano-1-[2-(methylsulfonyl)ethyl]-1H-pyrazole-5-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 4-cyano-1-[2-(méthylsulfonyl)éthyl]-1H-pyrazole-5-sulfonyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 597.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±28.7 °C
Index of Refraction: 1.651
Molar Refractivity: 65.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.56
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.56
Polar Surface Area: 127 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 69.5±7.0 dyne/cm
Molar Volume: 178.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement