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n-(3-bromophenyl)-3-oxobutanamide
Weight256.099 g/mol
FormulaC10H10BrNO2
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds3

n-(3-bromophenyl)-3-oxobutanamide (61579-06-4)

61579-06-4

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Alternate Names

  • 61579-06-4
  • SMILES
    CC(=O)CC(=O)NC1=CC(=CC=C1)Br
  • InChIKey
    RSQFOIHPOUSQTO-UHFFFAOYSA-N

Estimated Properties

Boiling Point 335.97 C EPA T.E.S.T.
Boiling Point 382.51 C EPI Suite
Density 1.42 g/cm3 EPA T.E.S.T.
Flash Point 155.71 C EPA T.E.S.T.
Melting Point 146.09 C EPI Suite
Water Solubility 221.4 mg/L EPA T.E.S.T.
Water Solubility 7920.8 mg/L EPI Suite

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Synthesis

3-OXOBUTANOYL CHLORIDE  +  3-BROMOANILINE (Schotten-Baumann amide from acid)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of n-(3-bromophenyl)-3-oxobutanamide ›

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