ChemSpider 2D Image | 3-tert-butyl-4-chloro-1,2-oxazole-5-sulfonyl chloride | C7H9Cl2NO3S

3-tert-butyl-4-chloro-1,2-oxazole-5-sulfonyl chloride

  • Molecular FormulaC7H9Cl2NO3S
  • Average mass258.122 Da
  • Monoisotopic mass256.968018 Da
  • ChemSpider ID61973081

More details:

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

2031258-45-2 [RN]
3-tert-butyl-4-chloro-1,2-oxazole-5-sulfonyl chloride
4-Chlor-3-(2-methyl-2-propanyl)-1,2-oxazol-5-sulfonylchlorid [German] [ACD/IUPAC Name]
4-Chloro-3-(2-methyl-2-propanyl)-1,2-oxazole-5-sulfonyl chloride [ACD/IUPAC Name]
5-Isoxazolesulfonyl chloride, 4-chloro-3-(1,1-dimethylethyl)- [ACD/Index Name]
Chlorure de 4-chloro-3-(2-méthyl-2-propanyl)-1,2-oxazole-5-sulfonyle [French] [ACD/IUPAC Name]
MFCD30344819

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

Density: 1.4±0.1 g/cm3
Boiling Point: 354.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 168.3±27.9 °C
Index of Refraction: 1.510
Molar Refractivity: 54.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.55
ACD/KOC (pH 5.5): 248.07
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.55
ACD/KOC (pH 7.4): 248.07
Polar Surface Area: 69 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 180.7±3.0 cm3

Click to predict properties on the Chemicalize site


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