ChemSpider 2D Image | 2-(Trifluoromethyl)-3-thiophenecarboxylic acid | C6H3F3O2S

2-(Trifluoromethyl)-3-thiophenecarboxylic acid

  • Molecular FormulaC6H3F3O2S
  • Average mass196.147 Da
  • Monoisotopic mass195.980591 Da
  • ChemSpider ID30914371

More details:

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

2-(Trifluormethyl)-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
2-(Trifluoromethyl)-3-thiophenecarboxylic acid [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 2-(trifluoromethyl)- [ACD/Index Name]
Acide 2-(trifluorométhyl)-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
2-(trifluoromethyl)thiophene-3-carboxylic acid
2-(trifluoromethyl)thiophene-3-carboxylicacid
2-Trifluoromethyl-thiophene-3-carboxylic acid
767337-58-6 [RN]
AKOS025117594
KB-267371
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 255.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 52.1±3.0 kJ/mol
    Flash Point: 108.3±27.3 °C
    Index of Refraction: 1.497
    Molar Refractivity: 36.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): 0.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.89
    ACD/LogD (pH 7.4): -0.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 14.5±0.5 10-24cm3
    Surface Tension: 37.8±3.0 dyne/cm
    Molar Volume: 125.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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