ChemSpider 2D Image | 4-Bromo-1H-1,2,3-triazole | C2H2BrN3

4-Bromo-1H-1,2,3-triazole

  • Molecular FormulaC2H2BrN3
  • Average mass147.961 Da
  • Monoisotopic mass146.943207 Da
  • ChemSpider ID13411946

More details:

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

1643543-43-4 [RN]
1988796-00-4 [RN]
1H-1,2,3-Triazole, 5-bromo- [ACD/Index Name]
40964-56-5 [RN]
4-Brom-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-Bromo-1H-1,2,3-triazole [ACD/IUPAC Name]
4-Bromo-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
4-Bromo-2H-1,2,3-triazole
"4-BROMO-1H-1,2,3-TRIAZOLE"
1203672-88-1 [RN]
More...

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

    Density: 2.1±0.1 g/cm3
    Boiling Point: 278.5±13.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 49.6±3.0 kJ/mol
    Flash Point: 122.2±19.8 °C
    Index of Refraction: 1.615
    Molar Refractivity: 24.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.40
    ACD/LogD (pH 5.5): 1.08
    ACD/BCF (pH 5.5): 3.87
    ACD/KOC (pH 5.5): 90.84
    ACD/LogD (pH 7.4): 0.54
    ACD/BCF (pH 7.4): 1.12
    ACD/KOC (pH 7.4): 26.39
    Polar Surface Area: 42 Å2
    Polarizability: 9.7±0.5 10-24cm3
    Surface Tension: 72.9±3.0 dyne/cm
    Molar Volume: 70.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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