ChemSpider 2D Image | 2,3,5-Trifluoro-4-methoxybenzonitrile | C8H4F3NO

2,3,5-Trifluoro-4-methoxybenzonitrile

  • Molecular FormulaC8H4F3NO
  • Average mass187.119 Da
  • Monoisotopic mass187.024506 Da
  • ChemSpider ID26517576

More details:

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

2,3,5-Trifluor-4-methoxybenzonitril [German] [ACD/IUPAC Name]
2,3,5-Trifluoro-4-methoxybenzonitrile [ACD/IUPAC Name]
2,3,5-Trifluoro-4-méthoxybenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2,3,5-trifluoro-4-methoxy- [ACD/Index Name]
4-Methoxy-2,3,5-trifluorobenzonitrile
916791-82-7 [RN]
MFCD07782079

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: 235.9±35.0 °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: 96.5±25.9 °C
    Index of Refraction: 1.467
    Molar Refractivity: 38.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.31
    ACD/LogD (pH 5.5): 1.77
    ACD/BCF (pH 5.5): 13.00
    ACD/KOC (pH 5.5): 218.22
    ACD/LogD (pH 7.4): 1.77
    ACD/BCF (pH 7.4): 13.00
    ACD/KOC (pH 7.4): 218.22
    Polar Surface Area: 33 Å2
    Polarizability: 15.1±0.5 10-24cm3
    Surface Tension: 35.2±5.0 dyne/cm
    Molar Volume: 137.0±5.0 cm3

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