Benzofurazan

• Formula: C₆H₄N₂O
• Molecular weight: 120.1088
• IUPAC Standard InChI: InChI=1S/C6H4N2O/c1-2-4-6-5(3-1)7-9-8-6/h1-4H Copy

  
• IUPAC Standard InChIKey: AWBOSXFRPFZLOP-UHFFFAOYSA-N Copy
• CAS Registry Number: 273-09-6
• 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: Benzo-2,1,3-oxadiazole; 2-Oxa-1,3-diaza-2H-isoindene; 2,1,3-Benzoxadiazole; 3,5-Cyclohexadiene-1,2-dione, dioxime, furazan; 2,1,3-Benzoxadiazol
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
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Gas phase 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

Condensed phase 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

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₆H₄N₂O⁺ (ion structure unspecified)

Ionization energy determinations

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.

Leitao, Pilcher, et al., 1990
Leitao, M.L.; Pilcher, G.; Acree, W.E., Jr.; Zvaigzne, A.I.; Tucker, S.A.; Ribeiro Da Silva, M.D.M.C., Enthalpies of combustion of phenazine N-oxide, phenazine, benzofuroxan, and benzofurazan: the dissociation entrhalpies of the (N-O) bonds, J. Chem. Thermodyn., 1990, 22, 923-928. [all data]

Carpenter, Zimmer, et al., 1971
Carpenter, G.A.; Zimmer, M.F.; Baroody, E.E.; Robb, R.A., Enthalpy of formation of N,N,N'-trifluorohexaneamidine, (2-fluoro-2,2-dinitroethyl)acrylate,2,4-dinitrophenoxyethanol, and diisobutylazelate, J. Chem. Eng. Data, 1971, 16, 46-49. [all data]

Brent, 1963
Brent, C.R., A thermochemical study of the C=N and N-O bonds exergies in tetramethylene furoxan and cyclohexanedione dioxime, Ph.D. Thesis for Tulane University, 1963, 1-71. [all data]

Arshadi, 1980
Arshadi, M.R., Enthalpies of combustion and formation of phenazine and 2,1,3-benzoxadiazole, J. Chem. Thermodyn., 1980, 12, 903-906. [all data]

Clark, Gleiter, et al., 1973
Clark, P.A.; Gleiter, R.; Heilbronner, E., Photoelectron spectra of planar sulfur J. Heterocycl. Chem., Tetrahedron, 1973, 29, 3085. [all data]

Heberer and Matschiner, 1986
Heberer, H.; Matschiner, H., J. Prakt. Chem., 1986, 328, 261. [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔsubH°	Enthalpy of sublimation at standard conditions

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