Benzenamine, 4-(trifluoromethyl)-
- Formula: C7H6F3N
- Molecular weight: 161.1244
- IUPAC Standard InChI: InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
- IUPAC Standard InChIKey: ODGIMMLDVSWADK-UHFFFAOYSA-N
- CAS Registry Number: 455-14-1
- 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-Aminobenzotrifluoride; 4-Aminobenzotrifluoride; 4-Amino-α,α,α-benzotrifluoride; p-Amino-α,α,α-trifluorotoluene; p-Toluidine, α,α,α-trifluoro-; p-(Trifluoromethyl)aniline; 4-(Trifluoromethyl)aniline; 4-(Trifluoromethyl)benzenamine; α,α,α-Trifluoro-p-toluidine; α,α,α-Trifluoro-p-anisidine; Aniline, p-(trifluoromethyl)-; 4-Aminobenzotrifluororide; 1-Amino-4-(trifluoromethyl)benzene; NSC 10337
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Phase change 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: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference |
|---|---|---|
| 356.2 | 0.016 | Aldrich Chemical Company Inc., 1990 |
| 390.6 | 0.079 | PCR Inc., 1990 |
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: John E. Bartmess
De-protonation reactions
C7H5F3N- + =
By formula: C7H5F3N- + H+ = C7H6F3N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 353.3 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 346.0 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
References
Go To: Top, Phase change data, 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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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