ChemSpider 2D Image | 3-Bromo-2-fluoro-5-methylbenzonitrile | C8H5BrFN

3-Bromo-2-fluoro-5-methylbenzonitrile

  • Molecular FormulaC8H5BrFN
  • Average mass214.034 Da
  • Monoisotopic mass212.958939 Da
  • ChemSpider ID35329742

More details:

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

1260741-40-9 [RN]
3-Brom-2-fluor-5-methylbenzonitril [German] [ACD/IUPAC Name]
3-Bromo-2-fluoro-5-methylbenzonitrile [ACD/IUPAC Name]
3-Bromo-2-fluoro-5-methyl-benzonitrile
3-Bromo-2-fluoro-5-méthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-bromo-2-fluoro-5-methyl- [ACD/Index Name]
MFCD12756720

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 252.4±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.0±3.0 kJ/mol
    Flash Point: 106.4±25.9 °C
    Index of Refraction: 1.567
    Molar Refractivity: 43.8±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.36
    ACD/LogD (pH 5.5): 2.91
    ACD/BCF (pH 5.5): 96.48
    ACD/KOC (pH 5.5): 916.35
    ACD/LogD (pH 7.4): 2.91
    ACD/BCF (pH 7.4): 96.48
    ACD/KOC (pH 7.4): 916.35
    Polar Surface Area: 24 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 46.3±5.0 dyne/cm
    Molar Volume: 134.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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