ChemSpider 2D Image | 4-Bromo-1,3-benzodioxole-5-sulfonyl chloride | C7H4BrClO4S

4-Bromo-1,3-benzodioxole-5-sulfonyl chloride

  • Molecular FormulaC7H4BrClO4S
  • Average mass299.526 Da
  • Monoisotopic mass297.870209 Da
  • ChemSpider ID61343557

More details:

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

1,3-Benzodioxole-5-sulfonyl chloride, 4-bromo- [ACD/Index Name]
4-Brom-1,3-benzodioxol-5-sulfonylchlorid [German] [ACD/IUPAC Name]
4-Bromo-1,3-benzodioxole-5-sulfonyl chloride [ACD/IUPAC Name]
Chlorure de 4-bromo-1,3-benzodioxole-5-sulfonyle [French] [ACD/IUPAC Name]
1934414-59-1 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 379.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 183.2±27.9 °C
Index of Refraction: 1.624
Molar Refractivity: 54.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.96
ACD/KOC (pH 5.5): 604.52
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.96
ACD/KOC (pH 7.4): 604.52
Polar Surface Area: 61 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 153.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement