ChemSpider 2D Image | Ethyl 3-bromo-1H-pyrazole-4-carboxylate | C6H7BrN2O2

Ethyl 3-bromo-1H-pyrazole-4-carboxylate

  • Molecular FormulaC6H7BrN2O2
  • Average mass219.036 Da
  • Monoisotopic mass217.969086 Da
  • ChemSpider ID27445217

More details:

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

1353100-91-0 [RN]
1H-Pyrazole-4-carboxylic acid, 5-bromo-, ethyl ester [ACD/Index Name]
5-Bromo-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-bromo-1H-pyrazole-4-carboxylate
Ethyl 5-bromo-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-brom-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
[1353100-91-0] [RN]
1-H-pyrazole-4-carboxylic acid,3-bromo,ethyl ester
3-bromo-1h-pyrazole-4-carboxylic acid ethyl ester
3-Bromo-4-(ethoxycarbonyl)-1H-pyrazole
More...

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

CCRIS 4693 [DBID]
CCRIS 6892 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 331.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.4±3.0 kJ/mol
Flash Point: 154.1±22.3 °C
Index of Refraction: 1.565
Molar Refractivity: 42.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.14
ACD/KOC (pH 5.5): 243.37
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.23
ACD/KOC (pH 7.4): 228.75
Polar Surface Area: 55 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 131.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement