ChemSpider 2D Image | Methyl 4-[(trifluoromethyl)thio]benzoate | C9H7F3O2S

Methyl 4-[(trifluoromethyl)thio]benzoate

  • Molecular FormulaC9H7F3O2S
  • Average mass236.211 Da
  • Monoisotopic mass236.011887 Da
  • ChemSpider ID21469718

More details:

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

4-[(Trifluorométhyl)sulfanyl]benzoate de méthyle [French] [ACD/IUPAC Name]
88489-60-5 [RN]
Benzoic acid, 4-[(trifluoromethyl)thio]-, methyl ester [ACD/Index Name]
Methyl 4-[(trifluoromethyl)sulfanyl]benzoate [ACD/IUPAC Name]
Methyl 4-[(trifluoromethyl)thio]benzoate
Methyl-4-[(trifluormethyl)sulfanyl]benzoat [German] [ACD/IUPAC Name]
[88489-60-5] [RN]
98%
CA-4712
Methyl 4-((trifluoromethyl)thio)benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 205.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.2±3.0 kJ/mol
    Flash Point: 78.3±27.3 °C
    Index of Refraction: 1.502
    Molar Refractivity: 50.9±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.91
    ACD/LogD (pH 5.5): 3.37
    ACD/BCF (pH 5.5): 215.08
    ACD/KOC (pH 5.5): 1626.63
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 215.08
    ACD/KOC (pH 7.4): 1626.63
    Polar Surface Area: 52 Å2
    Polarizability: 20.2±0.5 10-24cm3
    Surface Tension: 36.4±5.0 dyne/cm
    Molar Volume: 172.4±5.0 cm3

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