- Formula: C7H4ClF3
- Molecular weight: 180.555
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: YTCGOUNVIAWCMG-UHFFFAOYSA-N
- CAS Registry Number: 98-15-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 3-Chlorobenzotrifluoride; m-Chlorobenzotrifluoride; m-Chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene; m-Trifluoromethylphenyl chloride; meta(Trifluoromethyl)chlorobenzene; Toluene, m-chloro-«alpha»,«alpha»,«alpha»-trifluoro-; 1-Chloro-3-(trifluoromethyl)benzene; 3-Chloro-«alpha»,«alpha»,«alpha»-trifluorotoluene; UN 2234
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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:
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
|9.8 ± 0.1||EI||Brown, 1970||RDSH|
|9.50||PE||Gounelle, Jullien, et al., 1975||Vertical value; LLK|
Appearance energy determinations
|Ion||AE (eV)||Other Products||Method||Reference||Comment|
|C7H4F3+||13.0 ± 0.1||Cl||EI||Brown, 1970||RDSH|
Go To: Top, Gas phase ion energetics data, Notes
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]
Gounelle, Jullien, et al., 1975
Gounelle, Y.; Jullien, J.; Solgadi, D.; Botter, R.; Menes, F., No. 157. - Effets de l'isomerie sur les potentiels d'ionisation: Spectres des photoelectrons de dihalogeno-benzenes, J. Chim. Phys., 1975, 10, 1094. [all data]
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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