Isatoic anhydride

• Formula: C₈H₅NO₃
• Molecular weight: 163.1302
• IUPAC Standard InChI: InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11) Copy

  
• IUPAC Standard InChIKey: TXJUTRJFNRYTHH-UHFFFAOYSA-N Copy
• CAS Registry Number: 118-48-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: Isato acid anhydride; 2H-3,1-Benzoxazine-2,4(1H)-dione; Anthranilic acid, N-carboxy-, cyclic anhydride; Benzoic acid, 2-(carboxyamino)-, cyclic anhydride; Isatoic acid anhydride; IA; 4H-3,1-benzoxazine-2,4(1H)-dione
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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • 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 by: William E. Acree, Jr., James S. Chickos

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

UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

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., The energetics of isomeric benzoxazine diones: isatoic anhydride revisited, Org. Biomol. Chem., 2004, 2, 11, 1647, https://doi.org/10.1039/b402801e . [all data]

Matos, Miranda, et al., 2003
Matos, M. Agostinha R.; Miranda, Margarida S.; Morais, Victor M.F.; Liebman, Joel F., Are isatin and isatoic anhydride antiaromatic and aromatic respectively? A combined experimental and theoretical investigation, Org. Biomol. Chem., 2003, 1, 14, 2566-712, https://doi.org/10.1039/b304405j . [all data]

Crabtree, et al., 1978
Crabtree, E.V., et al., J. Org. Chem., 1978, 43, 268. [all data]

Notes

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• Symbols used in this document:
  

  ΔsubH°

  Enthalpy of sublimation at standard conditions

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