ChemSpider 2D Image | 3-(4-bromophenyl)-1H-1,2,4-triazole | C8H6BrN3

3-(4-bromophenyl)-1H-1,2,4-triazole

  • Molecular FormulaC8H6BrN3
  • Average mass224.057 Da
  • Monoisotopic mass222.974503 Da
  • ChemSpider ID24598812

More details:

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

118863-62-0 [RN]
1H-1,2,4-Triazole, 3-(4-bromophenyl)- [ACD/Index Name]
3-(4-Bromophenyl)-1H-[1,2,4]triazole
3-(4-bromophenyl)-1H-1,2,4-triazole [ACD/IUPAC Name]
3-(4-Bromophényl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
3-(4-Bromphenyl)-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
5-(4-Bromophenyl)-1H-1,2,4-triazole
[118863-62-0] [RN]
3-(4-Bromo-phenyl)-1H-[1,2,4]triazole
3-(4-bromo-phenyl)-1h-[1???2???4]triazole
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 376.7±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.4±3.0 kJ/mol
    Flash Point: 181.6±28.4 °C
    Index of Refraction: 1.644
    Molar Refractivity: 49.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 2.45
    ACD/BCF (pH 5.5): 42.78
    ACD/KOC (pH 5.5): 511.90
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 42.65
    ACD/KOC (pH 7.4): 510.30
    Polar Surface Area: 42 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 60.9±3.0 dyne/cm
    Molar Volume: 135.7±3.0 cm3

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