ChemSpider 2D Image | Ethyl 3,5-dibromo-1H-pyrazole-4-carboxylate | C6H6Br2N2O2

Ethyl 3,5-dibromo-1H-pyrazole-4-carboxylate

  • Molecular FormulaC6H6Br2N2O2
  • Average mass297.932 Da
  • Monoisotopic mass295.879578 Da
  • ChemSpider ID30209138

More details:

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

1H-Pyrazole-4-carboxylic acid, 3,5-dibromo-, ethyl ester [ACD/Index Name]
3,5-Dibromo-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3,5-dibromo-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-3,5-dibrom-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1017802-86-6 [RN]
MFCD22372689

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

Density: 2.0±0.1 g/cm3
Boiling Point: 373.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.1±3.0 kJ/mol
Flash Point: 179.6±26.5 °C
Index of Refraction: 1.600
Molar Refractivity: 50.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 13.15
ACD/KOC (pH 5.5): 179.06
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.89
Polar Surface Area: 55 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 147.7±3.0 cm3

Click to predict properties on the Chemicalize site


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