4-(3-nitro-1H-1,2,4-triazol-1-yl)butan-2-one
Weight184.155 g/mol
FormulaC6H8N4O3
Hydrogen Acceptors6
Hydrogen Donors0
Aromatic Rings1
Rotatable Bonds4

4-(3-nitro-1H-1,2,4-triazol-1-yl)butan-2-one (60728-92-9)

60728-92-9

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Alternate Names

  • 60728-92-9
  • SMILES
    CC(=O)CCN1C=NC(=N1)[N+](=O)[O-]
  • InChIKey
    TVOPQTRZSBLUNV-UHFFFAOYSA-N

Estimated Properties

Boiling Point 283.24 C EPA T.E.S.T.
Boiling Point 309.32 C EPI Suite
Density 1.38 g/cm3 EPA T.E.S.T.
Flash Point 172.87 C EPA T.E.S.T.
Melting Point 114.68 C EPI Suite
Water Solubility 9932.1 mg/L EPA T.E.S.T.
Water Solubility 487450 mg/L EPI Suite

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