ChemSpider 2D Image | 4-Bromo-1-methyl-1H-1,2,3-triazole-5-carbaldehyde | C4H4BrN3O

4-Bromo-1-methyl-1H-1,2,3-triazole-5-carbaldehyde

  • Molecular FormulaC4H4BrN3O
  • Average mass189.998 Da
  • Monoisotopic mass188.953766 Da
  • ChemSpider ID38000361

More details:

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

1H-1,2,3-Triazole-5-carboxaldehyde, 4-bromo-1-methyl- [ACD/Index Name]
4-Brom-1-methyl-1H-1,2,3-triazol-5-carbaldehyd [German] [ACD/IUPAC Name]
4-Bromo-1-methyl-1H-1,2,3-triazole-5-carbaldehyde [ACD/IUPAC Name]
4-Bromo-1-méthyl-1H-1,2,3-triazole-5-carbaldéhyde [French] [ACD/IUPAC Name]
1402465-82-0 [RN]
4-bromo-1-methyl-1H-1,2,3-Triazole-5-carboxaldehyde
atoms 9 bonds 9
MFCD28130318

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 307.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 54.8±3.0 kJ/mol
    Flash Point: 139.5±28.7 °C
    Index of Refraction: 1.678
    Molar Refractivity: 36.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.16
    ACD/LogD (pH 5.5): 0.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 32.60
    ACD/LogD (pH 7.4): 0.25
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 32.60
    Polar Surface Area: 48 Å2
    Polarizability: 14.6±0.5 10-24cm3
    Surface Tension: 58.6±7.0 dyne/cm
    Molar Volume: 97.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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