Skeletal formula with numbering convention
Ball-and-stick molecular model
Space-filling molecular model
IUPAC name
Other names
2,1-Benzisoxazole, Anthranil, Benzo[d]isoxazole, Benz[c]isoxazole
271-58-9 N
3D model (Jmol) Interactive image
ChEBI CHEBI:51554 YesY
ChEMBL ChEMBL314871 YesY
ChemSpider 64227 YesY
ECHA InfoCard 100.005.437
EC Number 205-980-5
PubChem 67498
Molar mass 119.12 g·mol−1
Appearance Colorless liquid
Density 1.18 g/cm3
Boiling point 35 to 38 °C (95 to 100 °F; 308 to 311 K) (at 2.67 hPa)
101-102 °C (at 2 kPa)
S-phrases S24/25, S28A, S37, S45
Flash point 58 °C (136 °F; 331 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YesYN ?)
Infobox references

Benzisoxazole is an aromatic organic compound with a molecular formula C7H5NO containing a benzene-fused isoxazole ring structure.[1][2] Benzisoxazole has no household use. It is used primarily in industry and research.

Being a heterocyclic compound, benzisoxazole finds use in research as a starting material for the synthesis of larger, usually bioactive structures.

It is found within the chemical structures of pharmaceutical drugs such as some antipsychotics (including risperidone, paliperidone, ocaperidone, and iloperidone) and the anticonvulsant zonisamide.

Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization.


  1. Katritzky, A. R.; Pozharskii, A. F. (2000). Handbook of Heterocyclic Chemistry (2nd ed.). Academic Press. ISBN 0080429882.
  2. Clayden, J.; Greeves, N.; Warren, S.; Wothers, P. (2001). Organic Chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6.

See also

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