ChemSpider 2D Image | Methyl 3-chloro-1H-1,2,4-triazole-5-carboxylate | C4H4ClN3O2

Methyl 3-chloro-1H-1,2,4-triazole-5-carboxylate

  • Molecular FormulaC4H4ClN3O2
  • Average mass161.546 Da
  • Monoisotopic mass160.999207 Da
  • ChemSpider ID24598794

More details:

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

1H-1,2,4-Triazole-5-carboxylic acid, 3-chloro-, methyl ester [ACD/Index Name]
21733-05-1 [RN]
3-Chloro-1H-1,2,4-triazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
4H-1,2,4-triazole-3-carboxylic acid, 5-chloro-, methyl ester
Methyl 3-chloro-1H-1,2,4-triazole-5-carboxylate [ACD/IUPAC Name]
Methyl 5-chloro-4H-1,2,4-triazole-3-carboxylate
Methyl-3-chlor-1H-1,2,4-triazol-5-carboxylat [German] [ACD/IUPAC Name]
[21733-05-1] [RN]
1H-1,2,4-Triazole-3-carboxylic acid, 5-chloro-, methyl ester
methyl 5-chloro-1H-1,2,4-triazole-3-carboxylate
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 334.7±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.8±3.0 kJ/mol
    Flash Point: 156.2±23.2 °C
    Index of Refraction: 1.558
    Molar Refractivity: 33.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.60
    ACD/LogD (pH 5.5): 0.36
    ACD/BCF (pH 5.5): 1.07
    ACD/KOC (pH 5.5): 34.91
    ACD/LogD (pH 7.4): -0.68
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.13
    Polar Surface Area: 68 Å2
    Polarizability: 13.3±0.5 10-24cm3
    Surface Tension: 65.4±3.0 dyne/cm
    Molar Volume: 104.0±3.0 cm3

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