ChemSpider 2D Image | Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate | C7H9BrN2O2

Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate

  • Molecular FormulaC7H9BrN2O2
  • Average mass233.063 Da
  • Monoisotopic mass231.984726 Da
  • ChemSpider ID24745936

More details:

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

1269293-48-2 [RN]
1H-Pyrazole-3-carboxylic acid, 5-bromo-1-methyl-, ethyl ester [ACD/Index Name]
5-Bromo-1-méthyl-1H-pyrazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-brom-1-methyl-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
[1269293-48-2] [RN]
1211589-43-3 [RN]
5-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
ACN-000064
ACN-000782
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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: 294.2±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.4±3.0 kJ/mol
    Flash Point: 131.7±21.8 °C
    Index of Refraction: 1.578
    Molar Refractivity: 48.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): 1.77
    ACD/BCF (pH 5.5): 13.13
    ACD/KOC (pH 5.5): 219.81
    ACD/LogD (pH 7.4): 1.77
    ACD/BCF (pH 7.4): 13.13
    ACD/KOC (pH 7.4): 219.81
    Polar Surface Area: 44 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 43.5±7.0 dyne/cm
    Molar Volume: 146.8±7.0 cm3

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