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CS-W001157 4
Total: USD 88.00

4-(Dimethylamino)benzenesulfonic acid

  • CAS No. 121-58-4

  • Cat. No. CS-0042842
  • Purity≥95%
  • MDL No.MFCD20269870

*For research and further manufacturing use only, not for direct human use.

4-(Dimethylamino)benzenesulfonic acid|CS-0042842

Structure of 121-58-4

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General Information

  • CAS No. 121-58-4
  • Cat. No. CS-0042842
  • Purity ≥95%
  • MDL No. MFCD20269870
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO₃S
  • Molecular Weight 201.24
  • Synonym(s) Benzenesulfonic acid, 4-(dimethylamino)-
  • SMILES O=S(C1=CC=C(N(C)C)C=C1)(O)=O

Description

4-(Dimethylamino)benzenesulfonic acid features a strongly electron-donating dimethylamino group paired with a sulfonic acid moiety, enabling robust solubility in aqueous and polar organic media. This combination delivers high stability under standard conditions and facilitates efficient incorporation into dye intermediates, surfactants, and pH-sensitive molecular architectures.

Application

4-(Dimethylamino)benzenesulfonic acid serves as a versatile sulfonic acid building block in synthetic organic chemistry, enabling the construction of functionalized aromatic systems. Its dimethylamino group enhances solubility and facilitates electrophilic substitution, while the sulfonic acid moiety provides strong acidity and polarity, aiding purification and crystallization. The compound functions effectively in dye intermediates, pharmaceutical scaffolds, and catalyst design, offering robust bench stability and compatibility with standard reaction conditions.

Synthesis

  • Route1
    • null|null
      121-69-7
    • ~99%
    • In-stock
      4-(Dimethylamino)benzenesulfonic acid|CS-0042842
      121-58-4

    References

    • Anacor Pharmaceuticals, Inc.; GlaxoSmithKline Patent: US2010/256092 A1, 2010 ; Location in patent: Page/Page column 134 ; US 20100256092 A1
  • Route2
    • null|null
      121-69-7
    • ~97%
    • null|null
      14503-46-9
    • In-stock
      4-(Dimethylamino)benzenesulfonic acid|CS-0042842
      121-58-4

    References

    • Journal of Organic Chemistry USSR (English Translation), , vol. 23, # 9 p. 1709 - 1713 Zhurnal Organicheskoi Khimii, , vol. 23, # 9 p. 1925 - 1929
  • Route3
    • null|null
      121-69-7
    • ~33%
    • null|null
      14503-46-9
    • In-stock
      4-(Dimethylamino)benzenesulfonic acid|CS-0042842
      121-58-4
    • null|null
      618-09-7

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 56, # 1 p. 202 - 107,179 - 183

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.61
  • LogP   0.9993
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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