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
  View 3d structure (requires JavaScript / HTML 5)
• 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
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
• Options:
  • Switch to SI units

Phase change data

Go To: Top, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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)

Go To: Top, Phase change data, UV/Visible spectrum, References, Notes

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

UV/Visible spectrum

Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

References

Go To: Top, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Go To: Top, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, References

• Symbols used in this document:
  

  ΔsubH°

  Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.