Benzonitrile, 2,6-dichloro-
- Formula: C7H3Cl2N
- Molecular weight: 172.011
- IUPAC Standard InChIKey: YOYAIZYFCNQIRF-UHFFFAOYSA-N
- CAS Registry Number: 1194-65-6
- 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: Casoron; Casoron 133; DBN; H 133; Nia 5996; Niagara 5,996; 2,6-Dichlorobenzonitrile; Carsoron; Casaron; Code H 133; DBN (the herbicide); Du-Sprex; H 1313; 2,6-DBN; Decabane; 2,6-Dichlorbenzonitril; Niagara 5006; BH Prefix D; Casoron G; Casoron G4; Prefix D; Dichlobenil; 2,6-Dichlorobenzoic acid nitrile; DBN (pesticide); NSC 521490; Surfassol
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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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.698 ± 0.087 | IMRE | Chowdhury and Kebarle, 1986 | ΔGea(423 K) = -16.7 kcal/mol; ΔSea(estimated) = +1.7 eu; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.09 ± 0.05 | EI | Buchs, 1970 | RDSH |
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.
Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P.,
Electron affinities of di- and tetracyanoethylene and cyanobenzenes based on measurements of gas-phase electron transfer equilibria,
J. Am. Chem. Soc., 1986, 108, 5453. [all data]
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]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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