ChemSpider 2D Image | 4-Bromo-2-fluoro-5-methylbenzonitrile | C8H5BrFN

4-Bromo-2-fluoro-5-methylbenzonitrile

  • Molecular FormulaC8H5BrFN
  • Average mass214.034 Da
  • Monoisotopic mass212.958939 Da
  • ChemSpider ID21442099

More details:

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

4-Brom-2-fluor-5-methylbenzonitril [German] [ACD/IUPAC Name]
4-Bromo-2-fluoro-5-methylbenzonitrile [ACD/IUPAC Name]
4-Bromo-2-fluoro-5-méthylbenzonitrile [French] [ACD/IUPAC Name]
916792-13-7 [RN]
Benzonitrile, 4-bromo-2-fluoro-5-methyl- [ACD/Index Name]
MFCD07782073 [MDL number]
[916792-13-7] [RN]
2-Mercaptophenol [ACD/IUPAC Name]
3029-79-6 [RN]
4-Bromo-2-fluoro-5-methyl benzonitrile
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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: 1.6±0.1 g/cm3
    Boiling Point: 260.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.8±3.0 kJ/mol
    Flash Point: 111.2±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: 2.72
    ACD/LogD (pH 5.5): 3.08
    ACD/BCF (pH 5.5): 128.00
    ACD/KOC (pH 5.5): 1121.89
    ACD/LogD (pH 7.4): 3.08
    ACD/BCF (pH 7.4): 128.00
    ACD/KOC (pH 7.4): 1121.89
    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

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