ChemSpider 2D Image | 2-Bromo-4-fluoro-6-methylbenzonitrile | C8H5BrFN

2-Bromo-4-fluoro-6-methylbenzonitrile

  • Molecular FormulaC8H5BrFN
  • Average mass214.034 Da
  • Monoisotopic mass212.958939 Da
  • ChemSpider ID21442096

More details:

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

2-Brom-4-fluor-6-methylbenzonitril [German] [ACD/IUPAC Name]
2-Bromo-4-fluoro-6-methylbenzonitrile [ACD/IUPAC Name]
2-Bromo-4-fluoro-6-méthylbenzonitrile [French] [ACD/IUPAC Name]
916792-09-1 [RN]
Benzonitrile, 2-bromo-4-fluoro-6-methyl- [ACD/Index Name]
[916792-09-1] [RN]
2-Bromo-4-fluoro-6-methyl benzonitrile
2-Bromo-4-fluoro-6-methyl-benzonitrile
6-bromo-4-fluoro-2-methylbenzenecarbonitrile
916792-09-1 2-bromo-4-fluoro-6-methylbenzonitrile
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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: 283.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.3±3.0 kJ/mol
    Flash Point: 125.4±27.3 °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): 3.07
    ACD/BCF (pH 5.5): 127.09
    ACD/KOC (pH 5.5): 1116.18
    ACD/LogD (pH 7.4): 3.07
    ACD/BCF (pH 7.4): 127.09
    ACD/KOC (pH 7.4): 1116.18
    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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