Pyrazine, 1,4-dioxide

• Formula: C₄H₄N₂O₂
• Molecular weight: 112.0868
• IUPAC Standard InChI: InChI=1S/C4H4N2O2/c7-5-1-2-6(8)4-3-5/h1-4H Copy

  
• IUPAC Standard InChIKey: SXTKIFFXFIDYJF-UHFFFAOYSA-N Copy
• CAS Registry Number: 2423-84-9
• 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: Pyrazine di-N-oxide; Pyrazine dioxide; Pyrazine N,N'-dioxide
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
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Phase change data

Go To: Top, Gas phase ion energetics 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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

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

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Thornton, Verhoeven, et al., 1990
Thornton, D.A.; Verhoeven, P.F.M.; Watkins, G.M.; Desseyn, H.O.; Van Der Veken, B.J., Isotope labeling studies of some aromatic N-oxides-I. A full vibrational assignment of the infrared and Raman spectra (4000-50 cm-1) of pyrazine N, N'-dioxide and its fully deuterated analog, Spectrochim. Acta, Part A, 1990, 46, 1439-51. [all data]

Acree, Powell, et al., 1997
Acree, W.E., Jr.; Powell, J.R.; Tucker, S.A.; Ribeiro da Silva, M.D.M.C.; Matos, M.A.R.; Goncalves, J.M.; Santos, L.M.N.B.F.; Morais, V.M.F.; Pilcher, G., Thermochemical and theroretical study of some quinoxaline 1,4-dioxides and pyrazine 1,4-dioxide, J. Org. Chem., 1997, 62, 3722-3726. [all data]

Maier, Muller, et al., 1975
Maier, J.P.; Muller, J.-F.; Kubota, T., 182. Ionisation energies and the electronic structures of the N-oxides of diazabenzenes, Helv. Chim. Acta, 1975, 58, 1634. [all data]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔsubH°	Enthalpy of sublimation at standard conditions

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