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 Copy

  
• IUPAC Standard InChIKey: CDIDGWDGQGVCIB-UHFFFAOYSA-N Copy
• 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
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• 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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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
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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:
B - John E. Bartmess
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

De-protonation reactions

C₈H₄F₆N^- +  =

By formula: C₈H₄F₆N^- + H⁺ = C₈H₅F₆N

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Molder, Pikver, et al., 1983
Molder, U.H.; Pikver, R.J.; Koppel, I.A., Photoelectron spectra of molecules. 4. Amines, Org. React. Tartu, 1983, 20, 355. [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, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  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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