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3-acetylbenzaldehyde
Weight148.161 g/mol
FormulaC9H8O2
Hydrogen Acceptors2
Hydrogen Donors0
Aromatic Rings1
Rotatable Bonds2

3-acetylbenzaldehyde (41908-11-6)

41908-11-6

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Alternate Names

  • 41908-11-6
  • SMILES
    CC(=O)C1=CC=CC(=C1)C=O
  • InChIKey
    QVNFUJVNBRCKNJ-UHFFFAOYSA-N

Estimated Properties

Boiling Point 237.27 C EPA T.E.S.T.
Boiling Point 256.16 C EPI Suite
Density 1.15 g/cm3 EPA T.E.S.T.
Flash Point 95.53 C EPA T.E.S.T.
Melting Point 42.41 C EPI Suite
Water Solubility 1435.76 mg/L EPA T.E.S.T.
Water Solubility 21376 mg/L EPI Suite

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Synthesis

benzaldehyde  +  ACETYL CHLORIDE (Friedel-Crafts acylation)
Acetonitrile  +  3-CHLOROBENZALDEHYDE (Grignard carbonyl)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 3-acetylbenzaldehyde ›

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