ChemSpider 2D Image | Methyl 4-bromo-1H-1,2,3-triazole-5-carboxylate | C4H4BrN3O2

Methyl 4-bromo-1H-1,2,3-triazole-5-carboxylate

  • Molecular FormulaC4H4BrN3O2
  • Average mass205.997 Da
  • Monoisotopic mass204.948685 Da
  • ChemSpider ID29364717

More details:

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

1427475-25-9 [RN]
1H-1,2,3-Triazole-4-carboxylic acid, 5-bromo-, methyl ester [ACD/Index Name]
4-Bromo-1H-1,2,3-triazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-bromo-1H-1,2,3-triazole-5-carboxylate [ACD/IUPAC Name]
Methyl-4-brom-1H-1,2,3-triazol-5-carboxylat [German] [ACD/IUPAC Name]
[1427475-25-9] [RN]
2-(2,5-Dibromo-3-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane [ACD/IUPAC Name]
GS-5966
methyl 5-bromo-2H-1,2,3-triazole-4-carboxylate
Methyl5-bromo-1h-1,2,3-triazole-4-carboxylate
More...

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 332.2±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.5±3.0 kJ/mol
    Flash Point: 154.7±22.3 °C
    Index of Refraction: 1.586
    Molar Refractivity: 36.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.96
    ACD/LogD (pH 5.5): 0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.38
    ACD/LogD (pH 7.4): -1.23
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 68 Å2
    Polarizability: 14.4±0.5 10-24cm3
    Surface Tension: 67.6±3.0 dyne/cm
    Molar Volume: 108.3±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement