ChemSpider 2D Image | 4-Amino-5-nitro-2-(trifluoromethyl)benzonitrile | C8H4F3N3O2

4-Amino-5-nitro-2-(trifluoromethyl)benzonitrile

  • Molecular FormulaC8H4F3N3O2
  • Average mass231.132 Da
  • Monoisotopic mass231.025558 Da
  • ChemSpider ID26051204

More details:

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

4-Amino-5-nitro-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-Amino-5-nitro-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-Amino-5-nitro-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-amino-5-nitro-2-(trifluoromethyl)- [ACD/Index Name]
1155800-54-6 [RN]
5-Amino-2-cyano-4-nitrobenzotrifluoride
Benzonitrile,4-amino-5-nitro-2-(trifluoromethyl)-
MFCD15527544 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 362.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.8±3.0 kJ/mol
    Flash Point: 173.0±27.9 °C
    Index of Refraction: 1.536
    Molar Refractivity: 46.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.63
    ACD/LogD (pH 5.5): 2.92
    ACD/BCF (pH 5.5): 97.71
    ACD/KOC (pH 5.5): 924.72
    ACD/LogD (pH 7.4): 2.92
    ACD/BCF (pH 7.4): 97.71
    ACD/KOC (pH 7.4): 924.72
    Polar Surface Area: 96 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 54.1±5.0 dyne/cm
    Molar Volume: 147.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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