ChemSpider 2D Image | Methyl 2-cyano-3-(trifluoromethyl)benzoate | C10H6F3NO2

Methyl 2-cyano-3-(trifluoromethyl)benzoate

  • Molecular FormulaC10H6F3NO2
  • Average mass229.155 Da
  • Monoisotopic mass229.035065 Da
  • ChemSpider ID23499904

More details:

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

2-Cyano-3-(trifluorométhyl)benzoate de méthyle [French] [ACD/IUPAC Name]
benzoic acid, 2-cyano-3-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 2-cyano-3-(trifluoromethyl)benzoate [ACD/IUPAC Name]
Methyl-2-cyan-3-(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
1211596-75-6 [RN]
Methyl2-cyano-3-(trifluoromethyl)benzoate
METHYL-2-CYANO-3-(TRIFLUOROMETHYL)BENZOATE
MFCD11109765 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 318.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.0±3.0 kJ/mol
    Flash Point: 146.3±27.9 °C
    Index of Refraction: 1.476
    Molar Refractivity: 47.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.86
    ACD/LogD (pH 5.5): 2.58
    ACD/BCF (pH 5.5): 53.82
    ACD/KOC (pH 5.5): 603.42
    ACD/LogD (pH 7.4): 2.58
    ACD/BCF (pH 7.4): 53.82
    ACD/KOC (pH 7.4): 603.42
    Polar Surface Area: 50 Å2
    Polarizability: 18.8±0.5 10-24cm3
    Surface Tension: 38.5±5.0 dyne/cm
    Molar Volume: 168.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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