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ethyl 1H-1,2,4-triazol-5-ylacetate
Weight155.157 g/mol
FormulaC6H9N3O2
Hydrogen Acceptors4
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds3

ethyl 1H-1,2,4-triazol-5-ylacetate (23159-61-7)

23159-61-7

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Alternate Names

  • 23159-61-7
  • SMILES
    CCOC(=O)CC1=NC=NN1
  • InChIKey
    QWKGDUKXNRZJDH-UHFFFAOYSA-N

Estimated Properties

Boiling Point 327.17 C EPA T.E.S.T.
Boiling Point 299.4 C EPI Suite
Density 1.34 g/cm3 EPA T.E.S.T.
Flash Point 177.21 C EPA T.E.S.T.
Melting Point 88.55 C EPI Suite
Water Solubility 5146.57 mg/L EPA T.E.S.T.
Water Solubility 210910 mg/L EPI Suite

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Synthesis

1H-1,2,4-Triazole  +  ETHYL CHLOROACETATE (Friedel-Crafts alkylation)
2-(1H-1,2,4-Triazol-5-yl)acetic acid  +  Chloroethane (Ester from carboxilic acid(SN2))
Reactant  +  Ethanol (O-acylation)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of ethyl 1H-1,2,4-triazol-5-ylacetate ›

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