ChemSpider 2D Image | 4-Bromo-1-(2-chloroethyl)-1H-pyrazole | C5H6BrClN2

4-Bromo-1-(2-chloroethyl)-1H-pyrazole

  • Molecular FormulaC5H6BrClN2
  • Average mass209.471 Da
  • Monoisotopic mass207.940277 Da
  • ChemSpider ID26053888

More details:

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

1H-Pyrazole, 4-bromo-1-(2-chloroethyl)- [ACD/Index Name]
4-Brom-1-(2-chlorethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
4-Bromo-1-(2-chloroethyl)-1H-pyrazole [ACD/IUPAC Name]
4-Bromo-1-(2-chloroéthyl)-1H-pyrazole [French] [ACD/IUPAC Name]
663941-72-8 [RN]
1H-Pyrazole,4-bromo-1-(2-chloroethyl)-
4-bromo-1-(2-chloroethyl)pyrazole
MFCD12823043 [MDL number]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 265.6±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.3±3.0 kJ/mol
    Flash Point: 114.4±21.8 °C
    Index of Refraction: 1.611
    Molar Refractivity: 42.2±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.89
    ACD/LogD (pH 5.5): 2.29
    ACD/BCF (pH 5.5): 32.48
    ACD/KOC (pH 5.5): 420.40
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 32.48
    ACD/KOC (pH 7.4): 420.40
    Polar Surface Area: 18 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 47.2±7.0 dyne/cm
    Molar Volume: 121.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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