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1-(1H-1,2,4-Triazol-5-yl)ethanone
Weight111.104 g/mol
FormulaC4H5N3O
Hydrogen Acceptors3
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds1

1-(1H-1,2,4-Triazol-5-yl)ethanone (153334-29-3)

153334-29-3

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Alternate Names

  • 153334-29-3
  • SMILES
    CC(=O)C1=NC=NN1
  • InChIKey
    GYKQWOBXJHLLAP-UHFFFAOYSA-N

Estimated Properties

Boiling Point 280.11 C EPA T.E.S.T.
Boiling Point 263.11 C EPI Suite
Density 1.26 g/cm3 EPA T.E.S.T.
Flash Point 164.2 C EPA T.E.S.T.
Melting Point 68.93 C EPI Suite
Water Solubility 62399.4 mg/L EPA T.E.S.T.
Water Solubility 1e+06 mg/L EPI Suite

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Synthesis

Acetonitrile  +  3-Chloro-1,2,4-triazole (Grignard carbonyl)
1H-1,2,4-Triazole  +  ACETYL CHLORIDE (Friedel-Crafts acylation)
1-(1H-1,2,4-Triazol-5-yl)ethanol  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 1-(1H-1,2,4-Triazol-5-yl)ethanone ›

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