ChemSpider 2D Image | 3,5-Dibromo-1-isobutyl-1H-1,2,4-triazole | C6H9Br2N3

3,5-Dibromo-1-isobutyl-1H-1,2,4-triazole

  • Molecular FormulaC6H9Br2N3
  • Average mass282.964 Da
  • Monoisotopic mass280.916321 Da
  • ChemSpider ID26497127

More details:

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

1H-1,2,4-Triazole, 3,5-dibromo-1-(2-methylpropyl)- [ACD/Index Name]
3,5-Dibrom-1-isobutyl-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3,5-Dibromo-1-isobutyl-1H-1,2,4-triazole [ACD/IUPAC Name]
3,5-Dibromo-1-isobutyl-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
3,5-dibromo-1-(2-methylpropyl)-1,2,4-triazole
3,5-dibromo-1-(2-methylpropyl)-1H-1,2,4-triazole
799269-66-2 [RN]
atoms 11 bonds 11
MFCD16811099

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 339.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.2±3.0 kJ/mol
    Flash Point: 158.8±23.2 °C
    Index of Refraction: 1.648
    Molar Refractivity: 52.5±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 2.52
    ACD/BCF (pH 5.5): 48.27
    ACD/KOC (pH 5.5): 558.17
    ACD/LogD (pH 7.4): 2.52
    ACD/BCF (pH 7.4): 48.27
    ACD/KOC (pH 7.4): 558.17
    Polar Surface Area: 31 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 46.8±7.0 dyne/cm
    Molar Volume: 144.1±7.0 cm3

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