Benzenamine, N,N-dimethyl-4-nitro-
- Formula: C8H10N2O2
- Molecular weight: 166.1772
- IUPAC Standard InChIKey: QJAIOCKFIORVFU-UHFFFAOYSA-N
- CAS Registry Number: 100-23-2
- 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: Aniline, N,N-dimethyl-p-nitro-; p-(Dimethylamino)nitrobenzene; p-Nitro-N,N-dimethylaniline; p-Nitrodimethylaniline; N,N-Dimethyl-p-nitroaniline; N,N-Dimethyl-4-nitroaniline; 1-(Dimethylamino)-4-nitrobenzene; 4-(Dimethylamino)nitrobenzene; 4-Nitro-N,N-dimethylaniline; 4-Nitrodimethylaniline; N,N-Dimethyl-4-nitrobenzenamine; NSC 9815
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 896.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 870.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.6 ± 0.1 | PE | Egdell, Green, et al., 1975 | LLK |
8.0 | PE | Khalil, Meeks, et al., 1973 | Vertical value; LLK |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Egdell, Green, et al., 1975
Egdell, R.; Green, J.C.; Rao, C.N.R.,
Photoelectron spectra of substituted benzenes,
Chem. Phys. Lett., 1975, 33, 600. [all data]
Khalil, Meeks, et al., 1973
Khalil, O.S.; Meeks, J.L.; McGlynn, S.P.,
Electronic spectroscopy of highly polar aromatics. VII. Photoelectron spectra of nitroanilines,
J. Am. Chem. Soc., 1973, 95, 5876. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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