- Formula: C7H6N2O4
- Molecular weight: 182.1335
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: XTRDKALNCIHHNI-UHFFFAOYSA-N
- CAS Registry Number: 606-20-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Toluene, 2,6-dinitro-; 2,6-Dinitrotoluene; 2,6-Dnt; 1-Methyl-2,6-dinitrobenzene; Rcra waste number U106; 2-Methyl-1,3-dinitro-benzene
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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 compiled by: John E. Bartmess
Electron affinity determinations
|1.470 ± 0.048||IMRE||Fukuda and McIver, 1985||«DELTA»Gea(355 K) = -32.8 kcal/mol; «DELTA»Sea =-3.2, est. from data in Chowdhury, Heinis, et al., 1986|
|<1.550 ± 0.050||PD||Mock and Grimsrud, 1989|
Go To: Top, Gas phase ion energetics data, Notes
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]
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]
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
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