ChemSpider 2D Image | 3-Methyl-2-pyridinyl trifluoromethanesulfonate | C7H6F3NO3S

3-Methyl-2-pyridinyl trifluoromethanesulfonate

  • Molecular FormulaC7H6F3NO3S
  • Average mass241.188 Da
  • Monoisotopic mass241.002045 Da
  • ChemSpider ID57474435

More details:

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

3-Methyl-2-pyridinyl trifluoromethanesulfonate [ACD/IUPAC Name]
3-Methyl-2-pyridinyl-trifluormethansulfonat [German] [ACD/IUPAC Name]
Methanesulfonic acid, 1,1,1-trifluoro-, 3-methyl-2-pyridinyl ester [ACD/Index Name]
Trifluorométhanesulfonate de 3-méthyl-2-pyridinyle [French] [ACD/IUPAC Name]
154447-02-6 [RN]
3-METHYL-2-(TRIFLUOROMETHANESULFONYL)OXYPYRIDINE
3-Methylpyridin-2-yl trifluoromethanesulfonate
3-methylpyridin-2-yl trifluoromethanesulfonate(WXC08993)
640767-55-1 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 281.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 49.9±3.0 kJ/mol
    Flash Point: 123.8±27.3 °C
    Index of Refraction: 1.470
    Molar Refractivity: 44.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.30
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 49.66
    ACD/KOC (pH 5.5): 569.67
    ACD/LogD (pH 7.4): 2.53
    ACD/BCF (pH 7.4): 49.66
    ACD/KOC (pH 7.4): 569.67
    Polar Surface Area: 65 Å2
    Polarizability: 17.7±0.5 10-24cm3
    Surface Tension: 39.7±3.0 dyne/cm
    Molar Volume: 160.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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