Found 1 result

Search term: 1138450-30-2 (Found by approved synonym)
ChemSpider 2D Image | 1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-ylboronic acid | C5H6BF3N2O2

1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-ylboronic acid

  • Molecular FormulaC5H6BF3N2O2
  • Average mass193.919 Da
  • Monoisotopic mass194.047440 Da
  • ChemSpider ID26327763

More details:

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

(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)boronic acid
[1-Methyl-3-(trifluormethyl)-1H-pyrazol-4-yl]borsäure [German] [ACD/IUPAC Name]
[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]boronic acid [ACD/IUPAC Name]
1138450-30-2 [RN]
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-ylboronic acid
Acide [1-méthyl-3-(trifluorométhyl)-1H-pyrazol-4-yl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]- [ACD/Index Name]
MFCD13619875 [MDL number]
1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOL-4-YLBORONIC ACID
1-Methyl-3-(trifluoromethyl)pyrazole-4-boronic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 318.5±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 59.1±3.0 kJ/mol
    Flash Point: 146.4±30.7 °C
    Index of Refraction: 1.463
    Molar Refractivity: 36.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.51
    ACD/LogD (pH 5.5): 0.61
    ACD/BCF (pH 5.5): 1.67
    ACD/KOC (pH 5.5): 49.05
    ACD/LogD (pH 7.4): -0.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 6.73
    Polar Surface Area: 58 Å2
    Polarizability: 14.5±0.5 10-24cm3
    Surface Tension: 32.9±7.0 dyne/cm
    Molar Volume: 132.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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