ChemSpider 2D Image | Ethyl 3-chloro-1H-1,2,4-triazole-5-carboxylate | C5H6ClN3O2

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

  • Molecular FormulaC5H6ClN3O2
  • Average mass175.573 Da
  • Monoisotopic mass175.014847 Da
  • ChemSpider ID23346483

More details:

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

1H-1,2,4-Triazole-3-carboxylic acid, 5-chloro-, ethyl ester [ACD/Index Name]
3-Chloro-1H-1,2,4-triazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
774608-88-7 [RN]
Ethyl 3-chloro-1H-1,2,4-triazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-3-chlor-1H-1,2,4-triazol-5-carboxylat [German] [ACD/IUPAC Name]
[774608-88-7] [RN]
5-CHLORO-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
AGN-PC-09MQPN
AK-24831
AKOS006307298
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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: 1.5±0.1 g/cm3
    Boiling Point: 337.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.0±3.0 kJ/mol
    Flash Point: 157.6±23.2 °C
    Index of Refraction: 1.546
    Molar Refractivity: 38.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): 0.87
    ACD/BCF (pH 5.5): 2.59
    ACD/KOC (pH 5.5): 65.73
    ACD/LogD (pH 7.4): -0.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.93
    Polar Surface Area: 68 Å2
    Polarizability: 15.1±0.5 10-24cm3
    Surface Tension: 60.1±3.0 dyne/cm
    Molar Volume: 120.6±3.0 cm3

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