Benzisoxazole
From Wikipedia, the free encyclopedia
| Benzisoxazole | |
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| IUPAC name | 1,2-Benzisoxazole |
| Other names | 2,1-Benzisoxazole, Anthranil, Benzo[d]isoxazole, Benz[c]isoxazole |
| Identifiers | |
| CAS number | [271-58-9] |
| PubChem | |
| EINECS number | |
| SMILES | o1ncc2ccccc12 |
| InChI | 1/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H |
| Properties | |
| Molecular formula | C7H5NO |
| Molar mass | 119.12 g/mol |
| Appearance | Colorless liquid |
| Density | 1.18 g/cm3 |
| Boiling point |
35 - 38 °C (2.67 hPa) |
| Hazards | |
| S-phrases | S24/25, S28A, S37, S45 |
| Flash point | 58 °C |
| Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references |
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Benzisoxazole is an aromatic organic compound with a molecular formula C7H5NO containing a benzene-fused isoxazole ring structure. 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 the antipsychotic risperidone and the anticonvulsant zonisamide.
Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization.
