ChemSpider 2D Image | 2-Bromo-3-methylbenzenesulfonyl chloride | C7H6BrClO2S

2-Bromo-3-methylbenzenesulfonyl chloride

  • Molecular FormulaC7H6BrClO2S
  • Average mass269.543 Da
  • Monoisotopic mass267.896027 Da
  • ChemSpider ID26496858

More details:

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

1261566-57-7 [RN]
2-Brom-3-methylbenzolsulfonylchlorid [German] [ACD/IUPAC Name]
2-bromo-3-methylbenzene-1-sulfonyl chloride
2-Bromo-3-methylbenzenesulfonyl chloride [ACD/IUPAC Name]
Benzenesulfonyl chloride, 2-bromo-3-methyl- [ACD/Index Name]
Chlorure de 2-bromo-3-méthylbenzènesulfonyle [French] [ACD/IUPAC Name]
2-Bromo-3-methylbenzenesulfonylchloride
MFCD18089311

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 334.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.5±3.0 kJ/mol
    Flash Point: 156.3±25.9 °C
    Index of Refraction: 1.580
    Molar Refractivity: 52.7±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 94.92
    ACD/KOC (pH 5.5): 905.71
    ACD/LogD (pH 7.4): 2.90
    ACD/BCF (pH 7.4): 94.92
    ACD/KOC (pH 7.4): 905.71
    Polar Surface Area: 43 Å2
    Polarizability: 20.9±0.5 10-24cm3
    Surface Tension: 45.4±3.0 dyne/cm
    Molar Volume: 158.5±3.0 cm3

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