- Formula: C6H4FNO2
- Molecular weight: 141.0999
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: PWKNBLFSJAVFAB-UHFFFAOYSA-N
- CAS Registry Number: 1493-27-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: o-Fluoronitrobenzene; o-Nitrofluorobenzene; Benzene, o-nitrofluoro-; 1-Fluoro-2-nitrobenzene; 2-Fluoronitrobenzene; 2-Nitrofluorobenzene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase ion energetics data
Go To: Top, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
Electron affinity determinations
|1.08 ± 0.10||IMRE||Chowdhury, Heinis, et al., 1986||«DELTA»Gea(423 K) = -24.2 kcal/mol; «DELTA»Sea (estimated) = -1.6 eu.; B|
|<1.240 ± 0.050||PD||Mock and Grimsrud, 1989||B|
|1.106 ± 0.048||IMRE||Fukuda and McIver, 1985||«DELTA»Gea(355 K) = -24.9 kcal/mol; «DELTA»Sea =-1.6, est. from data in Chowdhury, Heinis, et al., 1986; B|
Ionization energy determinations
|9.86||PE||Palmer, Moyes, et al., 1979||Vertical value; LLK|
Go To: Top, Gas phase ion energetics data, Notes
Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P., Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-, J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037 . [all data]
Mock and Grimsrud, 1989
Mock, R.S.; Grimsrud, E.P., Gas-Phase Electron Photodetachment Spectroscopy of the Molecular Anions of Nitroaromatic Hydrocarbons at Atmospheric Pressure, J. Am. Chem. Soc., 1989, 111, 8, 2861, https://doi.org/10.1021/ja00190a020 . [all data]
Fukuda and McIver, 1985
Fukuda, E.K.; McIver, R.T., Jr., Relative electron affinities of substituted benzophenones, nitrobenzenes, and quinones. [Anchored to EA(SO2) from 74CEL/BEN], J. Am. Chem. Soc., 1985, 107, 2291. [all data]
Palmer, Moyes, et al., 1979
Palmer, M.H.; Moyes, W.; Spiers, M.; Ridyard, J.N.A., The electronic structure of substituted benzenes; ab initio calculations and photoelectron spectra for nitrobenzene, the nitrotoluenes, dinitrobenzenes and fluoronitrobenzenes, J. Mol. Struct., 1979, 55, 243. [all data]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.