Anthranil

Anthranil (2,1-benzisoxazole) is an organic compound with a molecular formula C7H5NO, which features a fused benzene-isoxazole bicyclic ring structure. It is an isomer of the more common compounds benzoxazole and benzisoxazole, which have their oxygen atoms located in the 1-position. The locations of the heteroatoms in anthranil results in disrupted aromaticity, making it by far the least stable of the 3 structural isomers.

Anthranil
Names
Preferred IUPAC name
2,1-Benzoxazole
Identifiers
3D model (JSmol)
ECHA InfoCard 100.005.437
EC Number
  • 205-980-5
PubChem CID
UNII
  • InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H
    Key: FZKCAHQKNJXICB-UHFFFAOYSA-N
SMILES
  • n1c2ccccc2co1
Properties
C7H5NO
Molar mass 119.123 g·mol−1
Appearance Colorless liquid
Density 1.183 g/mL
Boiling point 101–102 °C (214–216 °F; 374–375 K)
Hazards
GHS labelling:
Warning
H302
P264, P270, P301+P312, P330, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references
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