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

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

  • Molecular FormulaC4H4BrN3O
  • Average mass189.998 Da
  • Monoisotopic mass188.953766 Da
  • ChemSpider ID65389994

More details:

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

2H-1,2,3-Triazole-4-carboxaldehyde, 5-bromo-2-methyl- [ACD/Index Name]
5-Brom-2-methyl-2H-1,2,3-triazol-4-carbaldehyd [German] [ACD/IUPAC Name]
5-Bromo-2-methyl-2H-1,2,3-triazole-4-carbaldehyde [ACD/IUPAC Name]
5-Bromo-2-méthyl-2H-1,2,3-triazole-4-carbaldéhyde [French] [ACD/IUPAC Name]
1306610-18-3 [RN]
atoms 9 bonds 9
MFCD31556386

    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: -0.02
    ACD/LogD (pH 5.5): 0.40
    ACD/BCF (pH 5.5): 1.18
    ACD/KOC (pH 5.5): 39.28
    ACD/LogD (pH 7.4): 0.40
    ACD/BCF (pH 7.4): 1.18
    ACD/KOC (pH 7.4): 39.28
    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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