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) Copy

  
• IUPAC Standard InChIKey: LMYRWZFENFIFIT-UHFFFAOYSA-N Copy
• 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
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• 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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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • UV/Visible spectrum
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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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

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

C₇H₈NO₂S^- +  =

By formula: C₇H₈NO₂S^- + H⁺ = C₇H₉NO₂S

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 by: John E. Bartmess

De-protonation reactions

C₇H₈NO₂S^- +  =

By formula: C₇H₈NO₂S^- + H⁺ = C₇H₉NO₂S

IR Spectrum

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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

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.

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

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• 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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