Benzene, 1,1'-methylenebis[4-nitro-
- Formula: C13H10N2O4
- Molecular weight: 258.2295
- 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
Go To: Top, IR Spectrum, 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
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 |
IR Spectrum
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | WYANDOTTE CHEMICALS CORP., WYANDOTTE, MICHIGAN, USA |
Source reference | COBLENTZ NO. 2804 |
Date | Not specified, most likely prior to 1970 |
Name(s) | 1-nitro-4-(4-nitrobenzyl)benzene |
State | SOLID (MINERAL OIL MULL) |
Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
Path length | SPECTRAL CONTAMINATION DUE TO OIL AROUND 2900 CM-1 |
Resolution | 4 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY |
Melting point | 186-188 C |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, 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, IR Spectrum, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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