- Formula: C7H6F3N
- Molecular weight: 161.1244
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: VIUDTWATMPPKEL-UHFFFAOYSA-N
- CAS Registry Number: 98-16-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: m-Toluidine, «alpha»,«alpha»,«alpha»-trifluoro-; «alpha»,«alpha»,«alpha»-Trifluoro-m-toluidine; m-(Trifluoromethyl)aniline; m-Amino-«alpha»,«alpha»,«alpha»-trifluorotoluene; m-Aminobenzal fluoride; m-Aminobenzotrifluoride; 1-Amino-3-(trifluoromethyl)benzene; 3-(Trifluoromethyl)aniline; 3-(Trifluoromethyl)benzenamine; 3-Aminobenzotrifluoride; 3-Trifluromethylaniline; Toluene, 3-amino-«alpha»,«alpha»,«alpha»-trifluoro-,; USAF ma-4; m-Abtf; UN 2948; NSC 4540
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- Other data available:
Gas phase ion energetics data
Go To: Top, References, Notes
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
|Proton affinity (review)||856.9||kJ/mol||N/A||Hunter and Lias, 1998||HL|
|Gas basicity||825.1||kJ/mol||N/A||Hunter and Lias, 1998||HL|
C7H5F3N- + =
By formula: C7H5F3N- + H+ = C7H6F3N
|rH°||1493. ± 8.8||kJ/mol||G+TS||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale; B|
|rG°||1463. ± 8.4||kJ/mol||IMRE||Bartmess, Scott, et al., 1979||gas phase; value altered from reference due to change in acidity scale; B|
Go To: Top, Gas phase ion energetics data, Notes
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]
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]
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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