1,2-Benzisoxazole

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

  
• IUPAC Standard InChIKey: KTZQTRPPVKQPFO-UHFFFAOYSA-N Copy
• CAS Registry Number: 271-95-4
• 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: Indoxazene; 1-Oxa-2-azaindene; 1-Oxa-2-aza-1H-indene; 4,5-Benzisoxazole; 4,5-Benzisoazole; benz[d]isoxazole
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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • Mass spectrum (electron ionization)
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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 by: Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

Reaction thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

=

By formula: C₇H₅NO = C₇H₅NO

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.

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

Casey, Kemp, et al., 1973
Casey, M.L.; Kemp, D.S.; Paul, K.G.; Cox, D.D., The physical organic chemistry of benzisoxazoles. I. The mechanism of the base-catalyzed decomposition of benzisoxazoles, J. Org. Chem., 1973, 38, 2294-2300. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔrH°	Enthalpy of reaction at standard conditions

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