ChemSpider 2D Image | 4-(Trifluoromethyl)nicotinaldehyde | C7H4F3NO

4-(Trifluoromethyl)nicotinaldehyde

  • Molecular FormulaC7H4F3NO
  • Average mass175.108 Da
  • Monoisotopic mass175.024506 Da
  • ChemSpider ID19256642

More details:

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

1083197-78-7 [RN]
3-Pyridinecarboxaldehyde, 4-(trifluoromethyl)- [ACD/Index Name]
4-(Trifluormethyl)nicotinaldehyd [German] [ACD/IUPAC Name]
4-(Trifluoromethyl)nicotinaldehyde [ACD/IUPAC Name]
4-(Trifluorométhyl)nicotinaldéhyde [French] [ACD/IUPAC Name]
4-(trifluoromethyl)pyridine-3-carbaldehyde
4-TRIFLUOROMETHYL-3-FORMYLPYRIDINE
872626-76-1 [RN]
MFCD07781251 [MDL number]
[1083197-78-7] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 236.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.3±3.0 kJ/mol
    Flash Point: 96.8±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: 1.54
    ACD/LogD (pH 5.5): 1.62
    ACD/BCF (pH 5.5): 10.00
    ACD/KOC (pH 5.5): 180.85
    ACD/LogD (pH 7.4): 1.62
    ACD/BCF (pH 7.4): 10.00
    ACD/KOC (pH 7.4): 180.85
    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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