1H-Benzimidazole

• Formula: C₇H₆N₂
• Molecular weight: 118.1359
• IUPAC Standard InChI: InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9) Copy

  
• IUPAC Standard InChIKey: HYZJCKYKOHLVJF-UHFFFAOYSA-N Copy
• CAS Registry Number: 51-17-2
• 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: Benzimidazole; o-Benzimidazole; Azindole; Benziminazole; Benzoglyoxaline; Benzoimidazole; BZI; N,N'-Methenyl-o-phenylenediamine; 1,3-Benzodiazole; 1,3-Diazaindene; 3-Azaindole; NSC 759
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
• Data at other public NIST sites:
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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

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, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

Gas Chromatography

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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

Normal alkane RI, polar column, temperature ramp

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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.

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]

Kovac, Klasinc, et al., 1980
Kovac, B.; Klasinc, L.; Stanovnik, B.; Tisler, M., Photoelectron spectroscopy of J. Heterocycl. Chem.. Azaindenes azaindolizines (1), J. Heterocycl. Chem., 1980, 17, 689. [all data]

Ramsey, 1979
Ramsey, B.G., Substituent effects on imidazole basicity and photoelectron spectroscopy determined ionization energies, J. Org. Chem., 1979, 44, 2093. [all data]

Steck, Nachod, et al., 1948
Steck, E.A.; Nachod, F.C.; Ewing, G.W.; Gorman, N.H., Absorption spectra of heterocyclic compounds. III. Some benzimidazole derivatives, J. Am. Chem. Soc., 1948, 70, 3406-3410. [all data]

Nebesny, Budryn, et al., 2007
Nebesny, E.; Budryn, G.; Kula, J.; Majda, T., The effect of roasting method on headspace composition of robusta coffee bean aroma, Eur. Food Res. Technol., 2007, 225, 1, 9-19, https://doi.org/10.1007/s00217-006-0375-0 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References

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