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

1H-Pyrazole-4-carboxylic acid, 5-chloro-, ethyl ester [ACD/Index Name]
5-Chloro-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-chloro-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-chlor-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[1393667-83-8]
1393667-83-8 [RN]
56984-32-8 [RN]
5-chloro-1h-pyrazole-4-carboxylic acid ethyl ester
948552-01-0 [RN]
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

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

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