- Formula: C7H6FNO2
- Molecular weight: 155.1264
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: JHFOWEGCZWLHNW-UHFFFAOYSA-N
- CAS Registry Number: 446-33-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Toluene, 5-fluoro-2-nitro-; 2-Methyl-4-fluoronitrobenzene; 3-Fluoro-6-nitrotoluene; 3-Methyl-4-nitrofluorobenzene; 5-Fluoro-2-nitrotoluene
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- Information on this page:
Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
|Tboil (K)||Pressure (bar)||Reference|
|370.7||0.013||Weast and Grasselli, 1989|
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: John E. Bartmess
Electron affinity determinations
|1.010 ± 0.048||IMRE||Fukuda and McIver, 1985||«DELTA»Gea(355 K) = -22.7 kcal/mol; «DELTA»Sea =-1.6, est. from data in Chowdhury, Heinis, et al., 1986|
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas phase ion energetics 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||USAF ACADEMY, COLORADO SPRINGS, COLORADO 80840, J LLOYD PFLUG|
|NIST MS number||80029|
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]
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]
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
EA Electron affinity Tboil Boiling point
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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