ChemSpider 2D Image | 4-Ethynyl-6-(trifluoromethyl)pyrimidine | C7H3F3N2

4-Ethynyl-6-(trifluoromethyl)pyrimidine

  • Molecular FormulaC7H3F3N2
  • Average mass172.107 Da
  • Monoisotopic mass172.024826 Da
  • ChemSpider ID30648006

More details:

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

1378258-80-0 [RN]
4-Ethinyl-6-(trifluormethyl)pyrimidin [German] [ACD/IUPAC Name]
4-Ethynyl-6-(trifluoromethyl)pyrimidine [ACD/IUPAC Name]
4-Éthynyl-6-(trifluorométhyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-ethynyl-6-(trifluoromethyl)- [ACD/Index Name]
4-Ethynyl-6-trifluoromethyl-pyrimidine
AJ-127794
AK143924
AKOS022176518
MFCD22371723
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 195.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.6±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 41.4±3.0 kJ/mol
    Flash Point: 71.8±27.3 °C
    Index of Refraction: 1.460
    Molar Refractivity: 34.4±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.82
    ACD/LogD (pH 5.5): 0.88
    ACD/BCF (pH 5.5): 2.75
    ACD/KOC (pH 5.5): 71.76
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 2.75
    ACD/KOC (pH 7.4): 71.76
    Polar Surface Area: 26 Å2
    Polarizability: 13.6±0.5 10-24cm3
    Surface Tension: 40.1±5.0 dyne/cm
    Molar Volume: 125.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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