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

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

  • Molecular FormulaC6H6Br2N2O2
  • Average mass297.932 Da
  • Monoisotopic mass295.879578 Da
  • ChemSpider ID38774645

More details:

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

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

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

Density: 2.0±0.1 g/cm3
Boiling Point: 380.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 183.7±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: 2.17
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.53
ACD/KOC (pH 5.5): 474.23
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 6.54
ACD/KOC (pH 7.4): 78.51
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


Advertisement