Benzenamine, 3-(trifluoromethyl)-

• Formula: C₇H₆F₃N
• Molecular weight: 161.1244
• IUPAC Standard InChI: InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2 Copy

  
• IUPAC Standard InChIKey: VIUDTWATMPPKEL-UHFFFAOYSA-N Copy
• CAS Registry Number: 98-16-8
• Chemical structure:
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• Other names: m-Toluidine, α,α,α-trifluoro-; α,α,α-Trifluoro-m-toluidine; m-(Trifluoromethyl)aniline; m-Amino-α,α,α-trifluorotoluene; m-Aminobenzal fluoride; m-Aminobenzotrifluoride; 1-Amino-3-(trifluoromethyl)benzene; 3-(Trifluoromethyl)aniline; 3-(Trifluoromethyl)benzenamine; 3-Aminobenzotrifluoride; 3-Trifluromethylaniline; Toluene, 3-amino-α,α,α-trifluoro-,; USAF ma-4; m-Abtf; UN 2948; NSC 4540
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• Information on this page:
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
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Condensed phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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 as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

C₇H₅F₃N^- +  =

By formula: C₇H₅F₃N^- + H⁺ = C₇H₆F₃N

=  + 

By formula: C₁₅H₁₀F₆N₂O = C₈H₄F₃NO + C₇H₆F₃N

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess

De-protonation reactions

C₇H₅F₃N^- +  =

By formula: C₇H₅F₃N^- + H⁺ = C₇H₆F₃N

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.

Swarts, 1909
Swarts, M.F., Sur la chaleur de formation de quelquesuns compounds organiques fluords, Recl. Trav. Chim. Pays-Bas, 1909, 28, 143-154. [all data]

Swarts, 1919
Swarts, F., Etudes thermochimiques sur les combinaisons organiques fluorees, J. Chim. Phys., 1919, 17, 3-70. [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]

Chimishkyan, Svetlova, et al., 1984
Chimishkyan, A.L.; Svetlova, L.P.; Leonova, T.V.; Gluyaev, N.D., Thermal decomposition of substituted ureas, J. Gen. Chem. USSR, 1984, 54, 1317-1320. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  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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