Benzene, 1,1'-methylenebis[4-nitro-
- Formula: C13H10N2O4
- Molecular weight: 258.2295
- IUPAC Standard InChI: InChI=1S/C13H10N2O4/c16-14(17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(18)19/h1-8H,9H2
- IUPAC Standard InChIKey: GLBZQZXDUTUCGK-UHFFFAOYSA-N
- CAS Registry Number: 1817-74-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Methane, bis(p-nitrophenyl)-; Bis(p-nitrophenyl)methane; Bis(4-nitrophenyl)methane; 4,4'-Dinitrodiphenylmethane; Benzene, 1,1'-methylenebis*4-nitro-
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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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.98 ± 0.05 | EI | Pignataro, Mancini, et al., 1972 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H8+ | 10.3 ± 0.2 | ? | EI | Steele, Nichols, et al., 1962 | RDSH |
| C13H10NO2+ | 11.1 ± 0.1 | NO2 | EI | Innorta, Torroni, et al., 1973 | LLK |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pignataro, Mancini, et al., 1972
Pignataro, S.; Mancini, V.; Innorta, G.; Distefano, G.,
Ionization energies and ring orbital interaction in diarylmethanes and diaryleth,
Z. Naturforsch., 1972, 27, 534. [all data]
Steele, Nichols, et al., 1962
Steele, W.C.; Nichols, L.D.; Stone, F.G.A.,
The determination of silicon-carbon and silicon-hydrogen bond dissociation energies by electron impact,
J. Am. Chem. Soc., 1962, 84, 4441. [all data]
Innorta, Torroni, et al., 1973
Innorta, G.; Torroni, S.; Pignataro, S.; Mancini, V.,
The activation energy as guiding factor in the fragmentation of substituted diphenylmethanes,
Org. Mass Spectrom., 1973, 7, 1399. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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