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isoindolin-1-one
Weight133.15 g/mol
FormulaC8H7NO
Hydrogen Acceptors1
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds0

isoindolin-1-one (480-91-1)

480-91-1  ·  1-isoindolinone

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Alternate Names

  • 480-91-1
  • 1-isoindolinone
  • SMILES
    C1C2=CC=CC=C2C(=O)N1
  • InChIKey
    PXZQEOJJUGGUIB-UHFFFAOYSA-N

Estimated Properties

Boiling Point 296.65 C EPA T.E.S.T.
Boiling Point 316.95 C EPI Suite
Density 1.17 g/cm3 EPA T.E.S.T.
Flash Point 140.02 C EPA T.E.S.T.
Melting Point 104.47 C EPI Suite
Water Solubility 2972.9 mg/L EPA T.E.S.T.
Water Solubility 9129.4 mg/L EPI Suite

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Synthesis

o-Toluoyl chloride  +  Benzylamine (Schotten-Baumann amide from acid)
(2-Methylbenzoyl)boronic acid  +  Benzylamino radical (Chan-Lam coupling reaction)
Synthesis of isoindolin-1-one ›

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