ChemSpider 2D Image | 3-(Trifluoromethyl)isonicotinaldehyde | C7H4F3NO

3-(Trifluoromethyl)isonicotinaldehyde

  • Molecular FormulaC7H4F3NO
  • Average mass175.108 Da
  • Monoisotopic mass175.024506 Da
  • ChemSpider ID24583813

More details:

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

1060801-92-4 [RN]
3-(Trifluormethyl)isonicotinaldehyd [German] [ACD/IUPAC Name]
3-(Trifluoromethyl)-4-pyridinecarboxaldehyde
3-(Trifluoromethyl)isonicotinaldehyde [ACD/IUPAC Name]
3-(Trifluorométhyl)isonicotinaldéhyde [French] [ACD/IUPAC Name]
4-Pyridinecarboxaldehyde, 3-(trifluoromethyl)- [ACD/Index Name]
3-(trifluoromethyl)pyridine-4-carbaldehyde
3-TRIFLUOROMETHYL-PYRIDINE-4-CARBALDEHYDE
MFCD09834785

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 221.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.8±3.0 kJ/mol
    Flash Point: 87.7±27.3 °C
    Index of Refraction: 1.476
    Molar Refractivity: 36.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.80
    ACD/LogD (pH 5.5): 1.70
    ACD/BCF (pH 5.5): 11.58
    ACD/KOC (pH 5.5): 200.89
    ACD/LogD (pH 7.4): 1.70
    ACD/BCF (pH 7.4): 11.58
    ACD/KOC (pH 7.4): 200.90
    Polar Surface Area: 30 Å2
    Polarizability: 14.3±0.5 10-24cm3
    Surface Tension: 31.9±3.0 dyne/cm
    Molar Volume: 127.8±3.0 cm3

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