ChemSpider 2D Image | 3-Amino-4-(trifluoromethyl)benzonitrile | C8H5F3N2

3-Amino-4-(trifluoromethyl)benzonitrile

  • Molecular FormulaC8H5F3N2
  • Average mass186.134 Da
  • Monoisotopic mass186.040482 Da
  • ChemSpider ID24597721

More details:

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

1220630-83-0 [RN]
3-Amino-4-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
3-Amino-4-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
3-Amino-4-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-amino-4-(trifluoromethyl)- [ACD/Index Name]
[1220630-83-0] [RN]
2-Amino-4-cyanobenzotrifluoride
2-Amino-4-cyanobenzotrifluoride, 5-Cyano-α,α,α-trifluoro-o-toluidine
2-Amino-4-cyanobenzotrifluoride; 5-Cyano-α,α,α-trifluoro-o-toluidine
2-Nitro-1-(trifluoromethoxy)-4-(trifluoromethyl)benzene [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 286.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.6±3.0 kJ/mol
    Flash Point: 127.1±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: 2.94
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 39.38
    ACD/KOC (pH 5.5): 482.51
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 39.38
    ACD/KOC (pH 7.4): 482.51
    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

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