ChemSpider 2D Image | 4-Bromo-1-tert-butyl-3-methylpyrazole | C8H13BrN2

4-Bromo-1-tert-butyl-3-methylpyrazole

  • Molecular FormulaC8H13BrN2
  • Average mass217.106 Da
  • Monoisotopic mass216.026199 Da
  • ChemSpider ID28294114

More details:

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

1187385-83-6 [RN]
4-Brom-3-methyl-1-(2-methyl-2-propanyl)-1H-pyrazol [German] [ACD/IUPAC Name]
4-Bromo-1-(1,1-dimethylethyl)-3-methyl-1H-pyrazole
4-Bromo-1-(tert-butyl)-3-methyl-1H-pyrazole
4-Bromo-1-tert-butyl-3-methyl-1H-pyrazole
4-Bromo-1-tert-butyl-3-methylpyrazole
4-Bromo-3-méthyl-1-(2-méthyl-2-propanyl)-1H-pyrazole [French] [ACD/IUPAC Name]
[1187385-83-6] [RN]
1H-Pyrazole, 4-bromo-1-(1,1-dimethylethyl)-3-methyl- [ACD/Index Name]
4-bromo-1-t-butyl-3-methylpyrazole
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 245.9±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.3±3.0 kJ/mol
    Flash Point: 102.5±21.8 °C
    Index of Refraction: 1.542
    Molar Refractivity: 51.2±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 2.96
    ACD/BCF (pH 5.5): 103.97
    ACD/KOC (pH 5.5): 966.73
    ACD/LogD (pH 7.4): 2.96
    ACD/BCF (pH 7.4): 103.97
    ACD/KOC (pH 7.4): 966.74
    Polar Surface Area: 18 Å2
    Polarizability: 20.3±0.5 10-24cm3
    Surface Tension: 33.3±7.0 dyne/cm
    Molar Volume: 162.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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