ChemSpider 2D Image | 2,4-Difluoro-3-(trifluoromethoxy)benzonitrile | C8H2F5NO

2,4-Difluoro-3-(trifluoromethoxy)benzonitrile

  • Molecular FormulaC8H2F5NO
  • Average mass223.100 Da
  • Monoisotopic mass223.005661 Da
  • ChemSpider ID57416377

More details:

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

2,4-Difluor-3-(trifluormethoxy)benzonitril [German] [ACD/IUPAC Name]
2,4-Difluoro-3-(trifluoromethoxy)benzonitrile [ACD/IUPAC Name]
2,4-Difluoro-3-(trifluorométhoxy)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2,4-difluoro-3-(trifluoromethoxy)- [ACD/Index Name]
1806314-81-7 [RN]
MFCD28791003
PS-11245

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 190.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.5±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.7±3.0 kJ/mol
    Flash Point: 69.2±27.3 °C
    Index of Refraction: 1.430
    Molar Refractivity: 38.3±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.32
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 58.03
    ACD/KOC (pH 5.5): 636.81
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 58.03
    ACD/KOC (pH 7.4): 636.81
    Polar Surface Area: 33 Å2
    Polarizability: 15.2±0.5 10-24cm3
    Surface Tension: 31.1±5.0 dyne/cm
    Molar Volume: 148.2±5.0 cm3

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