- Formula: C3H3N3O2
- Molecular weight: 113.0748
- IUPAC Standard InChIKey: VYDWQPKRHOGLPA-UHFFFAOYSA-N
- CAS Registry Number: 3034-38-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Imidazole, 4-nitro-; 4(5)-Nitroimidazole; 4-Nitroimidazole; 5-Nitroimidazole; 4-Nitro-1H-imidazole; Imidazole, 4(or 5)-nitro-; 1H-4-Nitroimidazole; 1H-5-Nitroimidazole; 5-Nitro-1H-imidazole
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- Information on this page:
Reaction thermochemistry data
Go To: Top, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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By formula: C3H3N3O2 = C3H3N3O2
|rH°||0.0||kJ/mol||Ciso||Jimenez, Laynez, et al., 1989||gas phase; Tautomerism|
Mass spectrum (electron ionization)
Go To: Top, Reaction thermochemistry data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|Owner||NIST Mass Spectrometry Data Center|
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
|Origin||Japan AIST/NIMC Database- Spectrum MS-NW-6756|
|NIST MS number||235477|
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), Notes
Jimenez, Laynez, et al., 1989
Jimenez, P.; Laynez, J.; Claramunt, R.M.; Sanz, D.; Fayet, J.P.; Vertut, M.C.; Catalan, J.; Paz, J.L.G. de; Pfister-Guillouzo, G.; Guimon, C.; Flammang, R.; Maquestiau, A.; Elguero, J., The problem of the tautomerism of 4(5)-nitroimidazole: a theoretical and experimental study, New J. Chem., 1989, 13, 151-156. [all data]
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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