Benzoxazole

Benzoxazole is an aromatic organic compound with a molecular formula C7H5NO, a benzene-fused oxazole ring structure, and an odor similar to pyridine. Although benzoxazole itself is of little practical value, many derivatives of benzoxazoles are commercially important.

Benzoxazole
Names
Preferred IUPAC name
1,3-Benzoxazole
Other names
1-Oxa-3-aza-1H-indene
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.005.445
PubChem CID
UNII
  • InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H Y
    Key: BCMCBBGGLRIHSE-UHFFFAOYSA-N Y
  • InChI=1/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
    Key: BCMCBBGGLRIHSE-UHFFFAOYAP
SMILES
  • n1c2ccccc2oc1
Properties
C7H5NO
Molar mass 119.123 g·mol−1
Appearance White to light yellow solid
Melting point 27 to 30 °C (81 to 86 °F; 300 to 303 K)
Boiling point 182 °C (360 °F; 455 K)
Insoluble
Hazards
Flash point 58 °C (136 °F; 331 K)
Related compounds
Related compounds
 oxazole
indole
benzofuran
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

Being a heterocyclic compound, benzoxazole finds use in research as a starting material for the synthesis of larger, usually bioactive structures. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization.

This article is issued from Wikipedia. The text is licensed under Creative Commons - Attribution - Sharealike. Additional terms may apply for the media files.