Benzenesulfonamide, 4-methyl-
- Formula: C7H9NO2S
- Molecular weight: 171.217
- IUPAC Standard InChI: InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
- IUPAC Standard InChIKey: LMYRWZFENFIFIT-UHFFFAOYSA-N
- CAS Registry Number: 70-55-3
- 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-Toluenesulfonamide; p-Methylbenzenesulfonamide; p-Toluenesulfamide; p-Toluenesulfonylamide; p-Tolylsulfonamide; p-Tosylamide; Toluene-p-sulfonamide; Toluene-4-sulfonamide; Tolylsulfonamide; Tosylamide; 4-Methylbenzenesulfonamide; para-Toluenesulfonamide; 4-Toluenesulfonamide; p-Toluenesulfanamide; 4-Toluenesulfanamide; Toluene-p-sulphonamide; p-Toluenesulphonamide; Uniplex 173; Tolouen-4-sulfonamide; NSC 9908; toluene-4-sulphonamide
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Phase change data
Go To: Top, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 338.25 | K | N/A | Fort and Roberts, 1956 | Uncertainty assigned by TRC = 0.7 K |
| Tfus | 339.25 | K | N/A | Fort and Roberts, 1956 | Uncertainty assigned by TRC = 0.5 K |
Gas phase ion energetics data
Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, References, Notes
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
C7H8NO2S- + =
By formula: C7H8NO2S- + H+ = C7H9NO2S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 1397. ± 8.4 | kJ/mol | IMRE | Koppel, Koppel, et al., 2001 | gas phase |
IR Spectrum
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)
- SOLID (SPLIT MULL) $$ THE SPLT IN THE SPECTRAL FEATURE AT 632 CM-1 IS AN ARTIFACT CAUSED BY GRATING CHANGE $$ SPECTRAL FEATURE AT 1995 CM-1 IS PROBABLY AN ARTIFACT CAUSED BY GRATING CHANGE; DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLID (SPLIT MULL), FLUOROLUBE FOR 3800-1330 CM-1, NUJOL FOR 1330-400 CM-1; DOW FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, References, Notes
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 | VF-5MS | 1692. | Todua, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
References
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fort and Roberts, 1956
Fort, A.W.; Roberts, J.D.,
The Reactions of 3-Phenyl-1-propylamine-1-14C and 3-(p-methoxyphenyl)- propylamine-1-14C with Nitrous Acid,
J. Am. Chem. Soc., 1956, 78, 584. [all data]
Koppel, Koppel, et al., 2001
Koppel, I.A.; Koppel, J.; Leito, I.; Koppel, I.; Mishima, M.; Yagupolskii, L.M.,
The enormous acidifying effect of the supersubstituent =NSO2CF3 on the acidity of derivatives of benzenesulfonamide and toluene-p-sulfonamide in the gas phase and in dimethyl sulfoxide,
J. Chem. Soc. Perkin Trans., 2001, 2, 2, 229-232, https://doi.org/10.1039/b005765g
. [all data]
Todua, 2011
Todua, N.G.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔrG° Free energy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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