ChemSpider 2D Image | Methyl 6-chloro-5-(trifluoromethyl)nicotinate | C8H5ClF3NO2

Methyl 6-chloro-5-(trifluoromethyl)nicotinate

  • Molecular FormulaC8H5ClF3NO2
  • Average mass239.579 Da
  • Monoisotopic mass238.996094 Da
  • ChemSpider ID29358133

More details:

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

1360952-35-7 [RN]
3-Pyridinecarboxylic acid, 6-chloro-5-(trifluoromethyl)-, methyl ester [ACD/Index Name]
6-Chloro-5-(trifluorométhyl)nicotinate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-chloro-5-(trifluoromethyl)nicotinate [ACD/IUPAC Name]
Methyl-6-chlor-5-(trifluormethyl)nicotinat [German] [ACD/IUPAC Name]
95%
Methyl 6-chloro-5-(trifluoromethyl)pyridine-3-carboxylate
MFCD22559931

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 257.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.5±3.0 kJ/mol
    Flash Point: 109.3±27.3 °C
    Index of Refraction: 1.466
    Molar Refractivity: 46.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): 2.70
    ACD/BCF (pH 5.5): 66.42
    ACD/KOC (pH 5.5): 701.49
    ACD/LogD (pH 7.4): 2.70
    ACD/BCF (pH 7.4): 66.42
    ACD/KOC (pH 7.4): 701.49
    Polar Surface Area: 39 Å2
    Polarizability: 18.2±0.5 10-24cm3
    Surface Tension: 33.5±3.0 dyne/cm
    Molar Volume: 166.0±3.0 cm3

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