- Formula: C6H3N3O6
- Molecular weight: 213.1045
- IUPAC Standard InChIKey: UATJOMSPNYCXIX-UHFFFAOYSA-N
- CAS Registry Number: 99-35-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Benzene,1,3,5-trinitro-; s-Trinitrobenzene; syn-Trinitrobenzene; Trinitrobenzeen; Trinitrobenzene; Trinitrobenzol; TNB; Rcra waste number U234; NSC 36931; sym-Trinitrobenzene
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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
|2.62787||SI||Page and Goode, 1969||The Magnetron method, lacking mass analysis, is not reliable. G3(MP2)B3 calculations indicate EA = 1.9 eV; B|
Ionization energy determinations
|10.96 ± 0.02||PI||Kotov and Potapov, 1972||LLK|
Go To: Top, Gas phase ion energetics data, Notes
Page and Goode, 1969
Page, F.M.; Goode, G.C., Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]
Kotov and Potapov, 1972
Kotov, B.V.; Potapov, V.K., Ionization potentials of strong organic electron acceptors, Khim. Vys. Energ., 1972, 6, 375. [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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