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

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

  • Molecular FormulaC4H4BrN3O
  • Average mass189.998 Da
  • Monoisotopic mass188.953766 Da
  • ChemSpider ID32695304

More details:

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

1H-1,2,4-Triazole-5-carboxaldehyde, 3-bromo-1-methyl- [ACD/Index Name]
3-Brom-1-methyl-1H-1,2,4-triazol-5-carbaldehyd [German] [ACD/IUPAC Name]
3-Bromo-1-methyl-1H-1,2,4-triazole-5-carbaldehyde [ACD/IUPAC Name]
3-Bromo-1-méthyl-1H-1,2,4-triazole-5-carbaldéhyde [French] [ACD/IUPAC Name]
1262197-89-6 [RN]
5-bromo-2-methyl-1,2,4-triazole-3-carbaldehyde
5-Bromo-2-methyl-2H-[1,2,4]triazole-3-carbaldehyde
MFCD21099400

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 343.6±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.8±3.0 kJ/mol
    Flash Point: 161.6±23.2 °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: 0.56
    ACD/LogD (pH 5.5): 0.32
    ACD/BCF (pH 5.5): 1.04
    ACD/KOC (pH 5.5): 35.81
    ACD/LogD (pH 7.4): 0.32
    ACD/BCF (pH 7.4): 1.04
    ACD/KOC (pH 7.4): 35.81
    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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