Benzisoxazole

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Benzisoxazole

IUPAC name 1,2-Benzisoxazole

Other names 2,1-Benzisoxazole, Anthranil, Benzo[d]isoxazole, Benz[c]isoxazole

Identifiers

CAS number 271-58-9

PubChem 67498

EINECS number 205-980-5

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^−1

Appearance Colorless liquid

Density 1.18 g/cm³

Boiling point

35 - 38 °C (2.67 hPa)
101 - 102 °C (2 kPa)

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 Â°C, 100 kPa)
Infobox references

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.

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