ChemSpider 2D Image | 3-[5-(Chlorosulfonyl)-1-methyl-1H-1,2,3-triazol-4-yl]-2-propyn-1-yl acetate | C8H8ClN3O4S

3-[5-(Chlorosulfonyl)-1-methyl-1H-1,2,3-triazol-4-yl]-2-propyn-1-yl acetate

  • Molecular FormulaC8H8ClN3O4S
  • Average mass277.685 Da
  • Monoisotopic mass276.992401 Da
  • ChemSpider ID83795801

More details:

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

1H-1,2,3-Triazole-5-sulfonyl chloride, 4-[3-(acetyloxy)-1-propyn-1-yl]-1-methyl- [ACD/Index Name]
3-[5-(Chlorosulfonyl)-1-methyl-1H-1,2,3-triazol-4-yl]-2-propyn-1-yl acetate [ACD/IUPAC Name]
3-[5-(Chlorsulfonyl)-1-methyl-1H-1,2,3-triazol-4-yl]-2-propin-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-[5-(chlorosulfonyl)-1-méthyl-1H-1,2,3-triazol-4-yl]-2-propyn-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 453.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.3±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 63.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.38
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 52.08
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.08
Polar Surface Area: 100 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 184.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement