ChemSpider 2D Image | 3-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid | C6H5F3N2O2

3-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC6H5F3N2O2
  • Average mass194.111 Da
  • Monoisotopic mass194.030319 Da
  • ChemSpider ID21787409

More details:

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

1402447-01-1 [RN]
1H-Pyrazole-4-carboxylic acid, 5-methyl-3-(trifluoromethyl)- [ACD/Index Name]
3-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
5-Methyl-3-(trifluormethyl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-3-(trifluorométhyl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
5-Methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid
AGN-PC-05P1HL
AHUBQVNLBWQHPZ-UHFFFAOYSA-N
AKOS006323512
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 334.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.9±3.0 kJ/mol
    Flash Point: 156.0±27.9 °C
    Index of Refraction: 1.488
    Molar Refractivity: 35.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): -1.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.60
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 66 Å2
    Polarizability: 14.1±0.5 10-24cm3
    Surface Tension: 44.3±3.0 dyne/cm
    Molar Volume: 123.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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