ChemSpider 2D Image | 2-(1,1-Difluoroethyl)benzonitrile | C9H7F2N

2-(1,1-Difluoroethyl)benzonitrile

  • Molecular FormulaC9H7F2N
  • Average mass167.155 Da
  • Monoisotopic mass167.054657 Da
  • ChemSpider ID30916603

More details:

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

2-(1,1-Difluorethyl)benzonitril [German] [ACD/IUPAC Name]
2-(1,1-Difluoroethyl)benzonitrile [ACD/IUPAC Name]
2-(1,1-Difluoroéthyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(1,1-difluoroethyl)- [ACD/Index Name]
NCR BXFF1 [WLN]
1706430-09-2 [RN]
MFCD27992212 [MDL number]
TS-02245

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 242.8±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.0±3.0 kJ/mol
    Flash Point: 100.7±24.6 °C
    Index of Refraction: 1.480
    Molar Refractivity: 40.8±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 52.99
    ACD/KOC (pH 5.5): 596.72
    ACD/LogD (pH 7.4): 2.57
    ACD/BCF (pH 7.4): 52.99
    ACD/KOC (pH 7.4): 596.72
    Polar Surface Area: 24 Å2
    Polarizability: 16.2±0.5 10-24cm3
    Surface Tension: 33.6±5.0 dyne/cm
    Molar Volume: 143.6±5.0 cm3

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