ChemSpider 2D Image | 1-Bromo-3-fluoro-2-(trifluoromethoxy)benzene | C7H3BrF4O

1-Bromo-3-fluoro-2-(trifluoromethoxy)benzene

  • Molecular FormulaC7H3BrF4O
  • Average mass258.996 Da
  • Monoisotopic mass257.930328 Da
  • ChemSpider ID29314513

More details:

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

1242258-31-6 [RN]
1-Brom-3-fluor-2-(trifluormethoxy)benzol [German] [ACD/IUPAC Name]
1-Bromo-3-fluoro-2-(trifluoromethoxy)benzene [ACD/IUPAC Name]
1-Bromo-3-fluoro-2-(trifluorométhoxy)benzène [French] [ACD/IUPAC Name]
Benzene, 1-bromo-3-fluoro-2-(trifluoromethoxy)- [ACD/Index Name]
MFCD22551455 [MDL number]
Structure250

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 169.8±35.0 °C at 760 mmHg
    Vapour Pressure: 2.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 38.9±3.0 kJ/mol
    Flash Point: 68.6±10.2 °C
    Index of Refraction: 1.459
    Molar Refractivity: 41.1±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 3.60
    ACD/BCF (pH 5.5): 322.90
    ACD/KOC (pH 5.5): 2175.68
    ACD/LogD (pH 7.4): 3.60
    ACD/BCF (pH 7.4): 322.90
    ACD/KOC (pH 7.4): 2175.68
    Polar Surface Area: 9 Å2
    Polarizability: 16.3±0.5 10-24cm3
    Surface Tension: 27.9±3.0 dyne/cm
    Molar Volume: 150.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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