ChemSpider 2D Image | (4-bromo-3-fluorophenyl)(methyl)sulfane | C7H6BrFS

(4-bromo-3-fluorophenyl)(methyl)sulfane

  • Molecular FormulaC7H6BrFS
  • Average mass221.090 Da
  • Monoisotopic mass219.935760 Da
  • ChemSpider ID21469203

More details:

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

(4-bromo-3-fluorophenyl)(methyl)sulfane
1-Brom-2-fluor-4-(methylsulfanyl)benzol [German] [ACD/IUPAC Name]
1-Bromo-2-fluoro-4-(methylsulfanyl)benzene [ACD/IUPAC Name]
1-Bromo-2-fluoro-4-(méthylsulfanyl)benzène [French] [ACD/IUPAC Name]
917562-25-5 [RN]
Benzene, 1-bromo-2-fluoro-4-(methylthio)- [ACD/Index Name]
[917562-25-5] [RN]
1-Bromo-2-fluoro-4-(methylthio)benzene
1-Bromo-2-fluoro-4-(methylthio)benzene, (4-Bromo-3-fluorophenyl)(methyl)sulphane
1-Bromo-2-fluoro-4-(methylthio)benzene, 1-Bromo-2-fluoro-4-(methylsulphanyl)benzene, 4-Bromo-3-fluorophenyl methyl sulphide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 232.6±30.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.0±3.0 kJ/mol
    Flash Point: 94.5±24.6 °C
    Index of Refraction: 1.599
    Molar Refractivity: 47.2±0.4 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.67
    ACD/LogD (pH 5.5): 3.75
    ACD/BCF (pH 5.5): 417.47
    ACD/KOC (pH 5.5): 2614.85
    ACD/LogD (pH 7.4): 3.75
    ACD/BCF (pH 7.4): 417.47
    ACD/KOC (pH 7.4): 2614.85
    Polar Surface Area: 25 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 43.2±5.0 dyne/cm
    Molar Volume: 138.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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