ChemSpider 2D Image | 5-Chloro-1H-1,2,4-triazole-3-methanol | C3H4ClN3O

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

  • Molecular FormulaC3H4ClN3O
  • Average mass133.536 Da
  • Monoisotopic mass133.004288 Da
  • ChemSpider ID24005738

More details:

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

(3-Chlor-1H-1,2,4-triazol-5-yl)methanol [German] [ACD/IUPAC Name]
(3-Chloro-1H-1,2,4-triazol-5-yl)methanol [ACD/IUPAC Name]
(3-Chloro-1H-1,2,4-triazol-5-yl)méthanol [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-methanol, 5-chloro- [ACD/Index Name]
385377-24-2 [RN]
5-Chloro-1H-1,2,4-triazole-3-methanol
1H-1,2,4-Triazole-3-methanol, 5-chloro- (9CI)
MFCD02853192 [MDL number]
VS-09414

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 395.3±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.1±3.0 kJ/mol
    Flash Point: 192.9±28.4 °C
    Index of Refraction: 1.623
    Molar Refractivity: 28.2±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.26
    ACD/LogD (pH 5.5): -0.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 14.17
    ACD/LogD (pH 7.4): -0.66
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.93
    Polar Surface Area: 62 Å2
    Polarizability: 11.2±0.5 10-24cm3
    Surface Tension: 87.5±3.0 dyne/cm
    Molar Volume: 80.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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