Benzenamine, 3,5-bis(trifluoromethyl)-
- Formula: C8H5F6N
- Molecular weight: 229.1224
- IUPAC Standard InChI: InChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2
- IUPAC Standard InChIKey: CDIDGWDGQGVCIB-UHFFFAOYSA-N
- CAS Registry Number: 328-74-5
- 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: 3,5-Bis(trifluoromethyl)aniline; 3,5-Bis(trifluoromethyl)benzenamine; α,α,α,α',α',α'-Hexafluoro-3,5-xylidine; 3,5-Xylidine, α,α,α,α',α',α'-hexafluoro-; 3,5-di(Trifluoromethyl)aniline; Aniline, 3,5-bis(trifluoromethyl)-; 3,5-Xylidine, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-; alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylidine; 3,5-Bis-trifluoromethyl-phenylamine; NSC 3411
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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 |
|---|---|---|
| 358. | 0.020 | PCR Inc., 1990 |
| 358.2 | 0.020 | Weast and Grasselli, 1989 |
| 358. | 0.020 | American Tokyo Kasei, 1988 |
Reaction thermochemistry 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C8H4F6N- + =
By formula: C8H4F6N- + H+ = C8H5F6N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 347.9 ± 2.1 | kcal/mol | G+TS | Taft and Topsom, 1987 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 340.6 ± 2.0 | kcal/mol | IMRE | Taft and Topsom, 1987 | gas phase |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1057.8 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
American Tokyo Kasei, 1988
American Tokyo Kasei,
TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]
Taft and Topsom, 1987
Taft, R.W.; Topsom, R.D.,
The Nature and Analysis of Substituent Effects,
Prog. Phys. Org. Chem., 1987, 16, 1. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Gas Chromatography, 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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