ChemSpider 2D Image | Methyl 5-chloro-3-thiophenecarboxylate | C6H5ClO2S

Methyl 5-chloro-3-thiophenecarboxylate

  • Molecular FormulaC6H5ClO2S
  • Average mass176.621 Da
  • Monoisotopic mass175.969879 Da
  • ChemSpider ID29784088

More details:

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

36157-43-4 [RN]
3-Thiophenecarboxylic acid, 5-chloro-, methyl ester [ACD/Index Name]
5-Chloro-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-chloro-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl 5-chlorothiophene-3-carboxylate
Methyl-5-chlor-3-thiophencarboxylat [German] [ACD/IUPAC Name]
Chemistry 8564
methyl 2-chlorothiophene-4-carboxylate
MFCD20922775 [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: 229.7±20.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.6±3.0 kJ/mol
    Flash Point: 92.7±21.8 °C
    Index of Refraction: 1.555
    Molar Refractivity: 41.3±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.54
    ACD/LogD (pH 5.5): 2.44
    ACD/BCF (pH 5.5): 41.99
    ACD/KOC (pH 5.5): 505.17
    ACD/LogD (pH 7.4): 2.44
    ACD/BCF (pH 7.4): 41.99
    ACD/KOC (pH 7.4): 505.17
    Polar Surface Area: 55 Å2
    Polarizability: 16.4±0.5 10-24cm3
    Surface Tension: 43.8±3.0 dyne/cm
    Molar Volume: 128.8±3.0 cm3

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