ChemSpider 2D Image | 3-Nitro-2-(trifluoromethyl)benzonitrile | C8H3F3N2O2

3-Nitro-2-(trifluoromethyl)benzonitrile

  • Molecular FormulaC8H3F3N2O2
  • Average mass216.117 Da
  • Monoisotopic mass216.014664 Da
  • ChemSpider ID24583640

More details:

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

3-Nitro-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
3-Nitro-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
3-Nitro-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-nitro-2-(trifluoromethyl)- [ACD/Index Name]
1227516-56-4 [RN]
2-Cyano-6-nitrobenzotrifluoride
MFCD16606331

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 279.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.8±3.0 kJ/mol
    Flash Point: 122.8±27.3 °C
    Index of Refraction: 1.499
    Molar Refractivity: 42.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.20
    ACD/LogD (pH 5.5): 2.47
    ACD/BCF (pH 5.5): 44.29
    ACD/KOC (pH 5.5): 524.90
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 44.29
    ACD/KOC (pH 7.4): 524.90
    Polar Surface Area: 70 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 44.3±5.0 dyne/cm
    Molar Volume: 144.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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