Benzonitrile N-oxide
[CAS# 873-67-6]

Identification

• Name: Benzonitrile N-oxide
• Synonyms: Chebi:37829; Benzylidyne(Oxo)-Lambda(5)-Azane; Phenylnitrile Oxide
• Molecular Formula: C₇H₅NO
• Molecular Weight: 119.12
• CAS Registry Number: 873-67-6
• SMILES: [C+](=N[O-])C1=CC=CC=C1
• InChI: 1S/C7H5NO/c9-8-6-7-4-2-1-3-5-7/h1-5H
• InChIKey: QUNPTMGXSSDZHZ-UHFFFAOYSA-N

Properties

• Density: 1.006g/cm³ (Cal.)

References

• (1): Anup M. Jawalekar, Erik Reubsaet, Floris P. J. T. Rutjes and Floris L. van Delft. Synthesis of isoxazoles by hypervalent iodine-induced cycloaddition of nitrile oxides to alkynes, Chem. Commun., 2011, 47, 3198.