ChemSpider 2D Image | Methyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate | C7H9BrN2O2

Methyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate

  • Molecular FormulaC7H9BrN2O2
  • Average mass233.063 Da
  • Monoisotopic mass231.984726 Da
  • ChemSpider ID24732504

More details:

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

1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-dimethyl-, methyl ester [ACD/Index Name]
4-Bromo-1,3-diméthyl-1H-pyrazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
660408-08-2 [RN]
Methyl 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Methyl-4-brom-1,3-dimethyl-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
4-Bromo-2,5-dimethyl-2H-pyrazole-3-carboxylic acid methyl ester
95%
AGN-PC-0BHH3E
AKOS015997348
BBL033072
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 293.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.3±3.0 kJ/mol
    Flash Point: 131.5±25.9 °C
    Index of Refraction: 1.579
    Molar Refractivity: 48.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.11
    ACD/LogD (pH 5.5): 1.72
    ACD/BCF (pH 5.5): 11.98
    ACD/KOC (pH 5.5): 205.81
    ACD/LogD (pH 7.4): 1.72
    ACD/BCF (pH 7.4): 11.98
    ACD/KOC (pH 7.4): 205.81
    Polar Surface Area: 44 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 41.1±7.0 dyne/cm
    Molar Volume: 145.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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