2,1-Benzisoxazole

• Formula: C₇H₅NO
• Molecular weight: 119.1207
• IUPAC Standard InChI: InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H Copy

  
• IUPAC Standard InChIKey: FZKCAHQKNJXICB-UHFFFAOYSA-N Copy
• CAS Registry Number: 271-58-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Anthranil; benz[c]isoxazole
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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Matos, Miranda, et al., 2004
Matos, M. Agostinha R.; Miranda, Margarida S.; Morais, Victor M.F.; Liebman, Joel F., Aspects of the Aromaticity of Anthranil, Eur. J. Org. Chem., 2004, 2004, 15, 3340-3345, https://doi.org/10.1002/ejoc.200400158 . [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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