Benzonitrile, 3-chloro-
- Formula: C7H4ClN
- Molecular weight: 137.566
- IUPAC Standard InChI: InChI=1S/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H
- IUPAC Standard InChIKey: WBUOVKBZJOIOAE-UHFFFAOYSA-N
- CAS Registry Number: 766-84-7
- 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: Benzonitrile, m-chloro-; m-Chlorobenzonitrile; m-Cyanochlorobenzene; 3-Chlorobenzonitrile; 3-Chlorobenzoic acid nitrile
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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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.93 ± 0.04 | EI | Buchs, 1970 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H4N+ | 13.8 ± 0.1 | Cl | EI | Brown, 1970 |
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.
Buchs, 1970
Buchs, A.,
Etude par spectrometrie de masse de l'ionisation de benzonitriles, de phenylacetonitriles et de N,N-dimethylanilines substitues,
Helv. Chim. Acta, 1970, 53, 2026. [all data]
Brown, 1970
Brown, P.,
Kinetic studies in mass spectrometry-IV. The [M - Cl] reaction in substituted chlorobenzenes and the question of molecular ion isomerization,
Org. Mass Spectrom., 1970, 3, 639. [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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