ChemSpider 2D Image | 1-Bromo-2-(3,3,3-trifluoropropyl)benzene | C9H8BrF3

1-Bromo-2-(3,3,3-trifluoropropyl)benzene

  • Molecular FormulaC9H8BrF3
  • Average mass253.059 Da
  • Monoisotopic mass251.976135 Da
  • ChemSpider ID15023235

More details:

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

1099597-58-6 [RN]
1-Brom-2-(3,3,3-trifluorpropyl)benzol [German] [ACD/IUPAC Name]
1-Bromo-2-(3,3,3-trifluoropropyl)benzene [ACD/IUPAC Name]
1-Bromo-2-(3,3,3-trifluoropropyl)benzène [French] [ACD/IUPAC Name]
Benzene, 1-bromo-2-(3,3,3-trifluoropropyl)- [ACD/Index Name]
[1099597-58-6] [RN]
FS-4749
MFCD11226673 [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: 211.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.3±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.9±3.0 kJ/mol
    Flash Point: 93.6±23.2 °C
    Index of Refraction: 1.479
    Molar Refractivity: 48.6±0.3 cm3
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.02
    ACD/LogD (pH 5.5): 3.98
    ACD/BCF (pH 5.5): 619.75
    ACD/KOC (pH 5.5): 3469.53
    ACD/LogD (pH 7.4): 3.98
    ACD/BCF (pH 7.4): 619.75
    ACD/KOC (pH 7.4): 3469.53
    Polar Surface Area: 0 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 29.1±3.0 dyne/cm
    Molar Volume: 171.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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