Benzaldehyde, 3-nitro-
- Formula: C7H5NO3
- Molecular weight: 151.1195
- IUPAC Standard InChI: InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
- IUPAC Standard InChIKey: ZETIVVHRRQLWFW-UHFFFAOYSA-N
- CAS Registry Number: 99-61-6
- 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: Benzaldehyde, m-nitro-; m-Nitrobenzaldehyde; 3-Nitrobenzaldehyde; 3-Formylnitrobenzene; 5-Nitrobenzaldehyde
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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 by: John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.43 ± 0.10 | IMRE | Chowdhury, Kishi, et al., 1989 | ΔGea(423 K) = -31.7 kcal/mol, ΔS = -2 eu est |
| 1.336 ± 0.087 | IMRE | Mishima, Huh, et al., 1993 | ΔGea(343 K)=-31.4 kcal/mol. Reanchored to EA(PhNO2), Kebarle and Chowdhury, 1987. |
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 | SOUTHERN RESEARCH INSTITUTE |
| Source reference | COBLENTZ NO. 8320 |
| Date | 1958/01/13 |
| Name(s) | 3-nitrobenzaldehyde |
| State | SOLID (1.0 mg / 650 mg KBr DISC) SPECTRAL CONTAMINATION DUE TO H2O AROUND 3400 CM-1 |
| Instrument | PERKIN-ELMER 21 (GRATING) |
| Instrument parameters | FILTER CHANGE AT 1100 CM-1 |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS) |
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.
Chowdhury, Kishi, et al., 1989
Chowdhury, S.; Kishi, H.; Dillow, G.W.; Kebarle, P.,
Electron Affinities of Substituted Nitrobenzenes,
Can. J. Chem., 1989, 67, 4, 603, https://doi.org/10.1139/v89-091
. [all data]
Mishima, Huh, et al., 1993
Mishima, M.; Huh, C.; Nakamura, H.; Fujio, M.; Tsuno, Y.,
Electron Affinities of Benzaldehydes. Substituent Effects on Stabilities of Aromatic Radical Anions.,
Tetrahed. Lett., 1993, 34, 26, 4223, https://doi.org/10.1016/S0040-4039(00)60533-6
. [all data]
Kebarle and Chowdhury, 1987
Kebarle, P.; Chowdhury, S.,
Electron affinities and electron transfer reactions,
Chem. Rev., 1987, 87, 513. [all data]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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