ChemSpider 2D Image | tert-Butyl 4-amino-2-(trifluoromethyl)benzoate | C12H14F3NO2

tert-Butyl 4-amino-2-(trifluoromethyl)benzoate

  • Molecular FormulaC12H14F3NO2
  • Average mass261.240 Da
  • Monoisotopic mass261.097656 Da
  • ChemSpider ID38239320

More details:

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

1311200-05-1 [RN]
2-Methyl-2-propanyl 4-amino-2-(trifluoromethyl)benzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-amino-2-(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
4-Amino-2-(trifluorométhyl)benzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-amino-2-(trifluoromethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 4-amino-2-(trifluoromethyl)benzoate
DS-18731
MFCD08703395

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 345.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.0±3.0 kJ/mol
    Flash Point: 162.9±27.9 °C
    Index of Refraction: 1.486
    Molar Refractivity: 61.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.50
    ACD/LogD (pH 5.5): 3.73
    ACD/BCF (pH 5.5): 406.04
    ACD/KOC (pH 5.5): 2563.38
    ACD/LogD (pH 7.4): 3.73
    ACD/BCF (pH 7.4): 406.06
    ACD/KOC (pH 7.4): 2563.51
    Polar Surface Area: 52 Å2
    Polarizability: 24.2±0.5 10-24cm3
    Surface Tension: 33.0±3.0 dyne/cm
    Molar Volume: 212.7±3.0 cm3

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