ChemSpider 2D Image | Ethyl 5-chloro-1H-pyrazole-4-carboxylate | C6H7ClN2O2

Ethyl 5-chloro-1H-pyrazole-4-carboxylate

  • Molecular FormulaC6H7ClN2O2
  • Average mass174.585 Da
  • Monoisotopic mass174.019608 Da
  • ChemSpider ID21111931

More details:

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

1393667-83-8 [RN]
1H-Pyrazole-4-carboxylic acid, 5-chloro-, ethyl ester [ACD/Index Name]
5-Chloro-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
948552-01-0 [RN]
Ethyl 5-chloro-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-chlor-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[1393667-83-8] [RN]
56984-32-8 [RN]
5-chloro-1h-pyrazole-4-carboxylic acid ethyl ester
DS-17777
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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: 1.4±0.1 g/cm3
    Boiling Point: 327.3±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.0±3.0 kJ/mol
    Flash Point: 151.8±22.3 °C
    Index of Refraction: 1.542
    Molar Refractivity: 40.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.83
    ACD/LogD (pH 5.5): 1.75
    ACD/BCF (pH 5.5): 12.64
    ACD/KOC (pH 5.5): 213.89
    ACD/LogD (pH 7.4): 1.73
    ACD/BCF (pH 7.4): 12.10
    ACD/KOC (pH 7.4): 204.83
    Polar Surface Area: 55 Å2
    Polarizability: 15.9±0.5 10-24cm3
    Surface Tension: 51.8±3.0 dyne/cm
    Molar Volume: 127.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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