Benzene, azido-

• Formula: C₆H₅N₃
• Molecular weight: 119.1240
• IUPAC Standard InChI: InChI=1S/C6H5N3/c7-9-8-6-4-2-1-3-5-6/h1-5H Copy

  
• IUPAC Standard InChIKey: CTRLRINCMYICJO-UHFFFAOYSA-N Copy
• CAS Registry Number: 622-37-7
• 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: Azidobenzene; Benzene, triazo-; Phenyl azide
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• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 +  = C₁₆H₁₇N₃

By formula: C₁₀H₁₂ + C₆H₅N₃ = C₁₆H₁₇N₃

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

References

Go To: Top, Reaction thermochemistry 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.

Samuilov, Movchan, et al., 1985
Samuilov, Ya.D.; Movchan, A.I.; Solov'eva, S.E.; Konovalov, A.I., Thermochemical and kinetic study of 1,3-dipolar cycloadditions involving aryl azides and nitrones, Zh. Org. Khim., 1985, 21, 1772-1776. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Bastide, Maier, et al., 1976
Bastide, J.; Maier, J.P.; Kubota, T., Ionisation energies and electronic structures of the phenyl 1,3-dipoles, J. Electron Spectrosc. Relat. Phenom., 1976, 9, 307. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  ΔrH°	Enthalpy of reaction at standard conditions

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