p-Bromofluorobenzene
- Formula: C6H4BrF
- Molecular weight: 174.998
- IUPAC Standard InChI: InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
- IUPAC Standard InChIKey: AITNMTXHTIIIBB-UHFFFAOYSA-N
- CAS Registry Number: 460-00-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: p-Fluorobromobenzene; Benzene, 1-bromo-4-fluoro-; p-Fluorophenyl bromide; 1-Bromo-4-fluorobenzene; 1-Fluoro-4-bromobenzene; 4-Bromofluorobenzene; 4-Fluoro-1-bromobenzene; 4-Fluorobromobenzene; 4-Fluorophenyl bromide; 4-Bromo-1-fluorobenzene; NSC 10268
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Gas phase ion energetics data
Go To: Top, IR Spectrum, UV/Visible 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 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
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.02 ± 0.02 | PE | Mohraz, Maier, et al., 1980 | LLK |
| 8.99 ± 0.03 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
| 9.03 | PE | Gounelle, Jullien, et al., 1975 | Vertical value; LLK |
IR Spectrum
Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
UV/Visible spectrum
Go To: Top, Gas phase ion energetics data, 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
Spectrum
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Additional Data
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| Source | missing citation |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 8993 |
| Instrument | Zeiss MM12 or Zeiss PMQ II |
| Melting point | -17.4 |
| Boiling point | 151.5 |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mohraz, Maier, et al., 1980
Mohraz, M.; Maier, J.P.; Heilbronner, E.,
He(I α) and He(Iα) photoelectron spectra of fluorinated chloro- and bromobenzenes,
J. Electron Spectrosc. Relat. Phenom., 1980, 19, 429. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [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]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, UV/Visible spectrum, References
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