ChemSpider 2D Image | 4-{[(Trifluoroacetyl)amino]methyl}benzenesulfonyl chloride | C9H7ClF3NO3S

4-{[(Trifluoroacetyl)amino]methyl}benzenesulfonyl chloride

  • Molecular FormulaC9H7ClF3NO3S
  • Average mass301.670 Da
  • Monoisotopic mass300.978729 Da
  • ChemSpider ID26419122

More details:

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

4-{[(Trifluoracetyl)amino]methyl}benzolsulfonylchlorid [German] [ACD/IUPAC Name]
4-{[(Trifluoroacetyl)amino]methyl}benzenesulfonyl chloride [ACD/IUPAC Name]
Benzenesulfonyl chloride, 4-[[(2,2,2-trifluoroacetyl)amino]methyl]- [ACD/Index Name]
Chlorure de 4-{[(2,2,2-trifluoroacétyl)amino]méthyl}benzènesulfonyle [French] [ACD/IUPAC Name]
1183313-28-1 [RN]
4-((2,2,2-trifluoroacetamido)methyl)benzene-1-sulfonyl chloride
4-[(2,2,2-trifluoroacetamido)methyl]benzene-1-sulfonyl chloride
4-{[(2,2,2-trifluoroacetyl)amino]methyl}benzenesulfonyl chloride
MFCD12902593 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 401.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 196.8±28.7 °C
Index of Refraction: 1.503
Molar Refractivity: 58.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.60
ACD/KOC (pH 5.5): 237.22
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.56
ACD/KOC (pH 7.4): 236.50
Polar Surface Area: 72 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 197.7±3.0 cm3

Click to predict properties on the Chemicalize site


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