Benzene, 1-fluoro-4-(trifluoromethyl)-
- Formula: C7H4F4
- Molecular weight: 164.1003
- IUPAC Standard InChIKey: UNNNAIWPDLRVRN-UHFFFAOYSA-N
- CAS Registry Number: 402-44-8
- 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: p-Fluorobenzotrifluoride; p,α,α,α-Tetrafluorotoluene; 4-Fluorobenzotrifluoride; α,α,α,p-Tetrafluorotoluene; p-(Trifluoromethyl)fluorobenzene; p-Fluorotrifluoromethylbenzene; Toluene, p,α,α,α-tetrafluoro-; 1-Fluoro-4-(trifluoromethyl)benzene; NSC 88289; α,α,α,4-tetrafluorotoluene
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Gas phase ion energetics data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.98 | PE | Cabelli, Cowley, et al., 1982 | Vertical value |
IR Spectrum
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | Chuck Anderson, Aldrich Chemical Co. |
NIST MS number | 107401 |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cabelli, Cowley, et al., 1982
Cabelli, D.E.; Cowley, A.H.; Lagowski, J.J.,
The bonding in some bis(arene)chromium compounds as indicated by U. V. photoelectron zpectroscopy,
Inorg. Chim. Acta, 1982, 57, 195. [all data]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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