ChemSpider 2D Image | 3-Chloro-5-ethyl-1H-1,2,4-triazole | C4H6ClN3

3-Chloro-5-ethyl-1H-1,2,4-triazole

  • Molecular FormulaC4H6ClN3
  • Average mass131.564 Da
  • Monoisotopic mass131.025024 Da
  • ChemSpider ID24600379

More details:

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

1H-1,2,4-Triazole, 3-chloro-5-ethyl- [ACD/Index Name]
39908-97-9 [RN]
3-Chlor-5-ethyl-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-Chloro-5-ethyl-1H-1,2,4-triazole [ACD/IUPAC Name]
3-Chloro-5-éthyl-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
3-Chloro-5-ethyl-1H-[1,2,4]triazole
3-chloro-5-ethyl-1H-1,2,4-triazole|1H-1,2,4-triazole, 3-chloro-5-ethyl-
5-chloro-3-ethyl-1H-1,2,4-triazole
MFCD00500127
MFCD16090057 [MDL number]
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 289.4±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.9±3.0 kJ/mol
    Flash Point: 156.4±8.2 °C
    Index of Refraction: 1.545
    Molar Refractivity: 31.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.06
    ACD/LogD (pH 5.5): 0.63
    ACD/BCF (pH 5.5): 1.76
    ACD/KOC (pH 5.5): 52.17
    ACD/LogD (pH 7.4): 0.62
    ACD/BCF (pH 7.4): 1.73
    ACD/KOC (pH 7.4): 51.26
    Polar Surface Area: 42 Å2
    Polarizability: 12.4±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 99.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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