ChemSpider 2D Image | 4-Amino-2-(trifluoromethyl)(~2~H_3_)benzonitrile | C8H2D3F3N2

4-Amino-2-(trifluoromethyl)(2H3)benzonitrile

  • Molecular FormulaC8H2D3F3N2
  • Average mass189.152 Da
  • Monoisotopic mass189.059311 Da
  • ChemSpider ID48058288

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Amino-2-(trifluormethyl)(2H3)benzonitril [German] [ACD/IUPAC Name]
4-Amino-2-(trifluoromethyl)(2H3)benzonitrile [ACD/IUPAC Name]
4-Amino-2-(trifluorométhyl)(2H3)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,3,5-d3, 4-amino-6-(trifluoromethyl)- [ACD/Index Name]
1329792-44-0 [RN]
4-amino-2,3,5-trideuterio-6-(trifluoromethyl)benzonitrile
5-AMINO-2-CYANOBENZOTRIFLUORIDE-D3

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 294.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.4±3.0 kJ/mol
    Flash Point: 131.9±27.3 °C
    Index of Refraction: 1.500
    Molar Refractivity: 39.9±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.93
    ACD/LogD (pH 5.5): 2.21
    ACD/BCF (pH 5.5): 28.00
    ACD/KOC (pH 5.5): 378.01
    ACD/LogD (pH 7.4): 2.21
    ACD/BCF (pH 7.4): 28.00
    ACD/KOC (pH 7.4): 378.02
    Polar Surface Area: 50 Å2
    Polarizability: 15.8±0.5 10-24cm3
    Surface Tension: 40.7±5.0 dyne/cm
    Molar Volume: 135.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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