ChemSpider 2D Image | Methyl 4-amino-3-(trifluoromethyl)benzoate | C9H8F3NO2

Methyl 4-amino-3-(trifluoromethyl)benzoate

  • Molecular FormulaC9H8F3NO2
  • Average mass219.161 Da
  • Monoisotopic mass219.050720 Da
  • ChemSpider ID21429399

More details:

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

167760-75-0 [RN]
4-Amino-3-(trifluorométhyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-amino-3-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 4-amino-3-(trifluoromethyl)benzoate [ACD/IUPAC Name]
Methyl-4-amino-3-(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
[167760-75-0] [RN]
4-Amino-3-trifluoromethyl-benzoic acid methyl ester
55289-06-0 [RN]
DS-14741
methyl 3-( trifluoromethyl)-4-aminobenzoate
More...

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: 1.3±0.1 g/cm3
    Boiling Point: 305.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.6±3.0 kJ/mol
    Flash Point: 138.7±27.9 °C
    Index of Refraction: 1.491
    Molar Refractivity: 47.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.37
    ACD/LogD (pH 5.5): 2.52
    ACD/BCF (pH 5.5): 48.14
    ACD/KOC (pH 5.5): 557.11
    ACD/LogD (pH 7.4): 2.52
    ACD/BCF (pH 7.4): 48.14
    ACD/KOC (pH 7.4): 557.11
    Polar Surface Area: 52 Å2
    Polarizability: 18.7±0.5 10-24cm3
    Surface Tension: 34.4±3.0 dyne/cm
    Molar Volume: 163.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement