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
  The 3d structure may be viewed using Java or Javascript.
• 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:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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:
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

References

Go To: Top, Phase change data, Gas phase ion energetics data, Notes

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]

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]

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]

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]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References

• 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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