Benzisoxazole

Names

Preferred IUPAC name

1,2-Benzisoxazole

Other names

Benzo[d]isoxazole; Indoxazine

Identifiers

CAS Number

271-95-4^N

3D model (Jmol)

Interactive image

ChEBI

CHEBI:51554^Y

ChemSpider

64227^Y

PubChem CID

71073

InChI

InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H^Y

Key: KTZQTRPPVKQPFO-UHFFFAOYSA-N^Y
InChI=1/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H

Key: KTZQTRPPVKQPFO-UHFFFAOYAI

SMILES

n2oc1ccccc1c2

Properties

Chemical formula

C₇H₅NO

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)

Hazards

S-phrases (outdated)

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).

(what is ^YN ?)

Infobox references

1,2-Benzisoxazole is an aromatic organic compound with a molecular formula C₇H₅NO containing a benzene-fused isoxazole ring structure. The compound itself has no common applications; however, functionalized benzisoxazoles and benzisoxazoyls have a variety of uses, including pharmaceutical drugs such as some antipsychotics (including risperidone, paliperidone, ocaperidone, and iloperidone) and the anticonvulsant zonisamide.

Its aromaticity makes it relatively stable; however, it is only weakly basic.

Benzisoxazole may be prepared from inexpensive salicylaldehyde, via a base catalyzed room temperature reaction with hydroxylamine-O-sulfonic acid.

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