ChemSpider 2D Image | Ethyl 5-bromopyrimidine-2-carboxyate | C7H7BrN2O2

Ethyl 5-bromopyrimidine-2-carboxyate

  • Molecular FormulaC7H7BrN2O2
  • Average mass231.047 Da
  • Monoisotopic mass229.969086 Da
  • ChemSpider ID23346482

More details:

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

1197193-30-8 [RN]
2-Pyrimidinecarboxylic acid, 5-bromo-, ethyl ester [ACD/Index Name]
5-Bromo-2-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-bromo-2-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl 5-bromopyrimidine-2-carboxyate
Ethyl 5-bromopyrimidine-2-carboxylate
Ethyl-5-brom-2-pyrimidincarboxylat [German] [ACD/IUPAC Name]
Ethyl-5-bromopyrimidine-2-carboxylate
[1197193-30-8] [RN]
5-bromo-2-Pyrimidinecarboxylic acid ethyl ester
More...

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

CCRIS 4693 [DBID]
  • Miscellaneous

    • Safety:

      26-37-60 Alfa Aesar H61304
      36/37/38 Alfa Aesar H61304
      H315-H319-H335 Alfa Aesar H61304
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H61304
      Warning Alfa Aesar H61304

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

Density: 1.6±0.1 g/cm3
Boiling Point: 322.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.7±25.7 °C
Index of Refraction: 1.548
Molar Refractivity: 46.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 77.35
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.05
ACD/KOC (pH 7.4): 77.35
Polar Surface Area: 52 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 146.5±3.0 cm3

Click to predict properties on the Chemicalize site


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