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CS-W001157 4
Total: USD 88.00

4-Ethyl-benzenesulfonyl chloride

  • CAS No. 16712-69-9

  • Cat. No. CS-0074266
  • Purity≥96%
  • MDL No.MFCD00041480

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

4-Ethyl-benzenesulfonyl chloride|CS-0074266

Structure of 16712-69-9

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General Information

  • CAS No. 16712-69-9
  • Cat. No. CS-0074266
  • Purity ≥96%
  • MDL No. MFCD00041480
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClO₂S
  • Molecular Weight 204.67
  • Synonym(s) 4-Ethylbenzenesulfonyl chloride
  • SMILES O=S(C(C=C1)=CC=C1CC)(Cl)=O

Description

4-Ethyl-benzenesulfonyl chloride features a para-ethyl substituent that enhances solubility in organic media while maintaining high reactivity. This sulfonyl chloride derivative serves as a robust electrophilic coupling agent, integrating efficiently into amine-containing systems under mild conditions. Its bench-stable nature simplifies handling in synthetic workflows involving sulfonamide formation.

Application

4-Ethylbenzenesulfonyl chloride serves as a robust sulfonating agent for aromatic amines and alcohols, enabling efficient synthesis of sulfonamide and sulfonate derivatives under mild conditions. Its bench-stable nature and compatibility with diverse functional groups facilitate straightforward purification and scalability in pharmaceutical and agrochemical intermediate synthesis.

Synthesis

  • Route1
    • null|null
      98-69-1
    • ~64%
    • In-stock
      4-Ethyl-benzenesulfonyl chloride|CS-0074266
      16712-69-9

    References

    • European Journal of Medicinal Chemistry, , vol. 36, # 10 p. 809 - 828
  • Route2
    • null|null
      100-41-4
    • ~%
    • In-stock
      4-Ethyl-benzenesulfonyl chloride|CS-0074266
      16712-69-9

    References

    • Bulletin de la Societe Chimique de France, , p. 1044
  • Route3
    • null|null
      100-41-4
    • ~90%
    • null|null
      98-69-1
    • In-stock
      4-Ethyl-benzenesulfonyl chloride|CS-0074266
      16712-69-9
    • 2-Ethylbenzenesulfonic acid|CS-1164213
      91-24-7
    • 3-Ethylbenzenesulfonyl chloride|CS-0865131
      34586-44-2
    • 2-Ethylbenzene-1-sulfonyl chloride|CS-0235294
      34586-43-1
    • 3-Ethylbenzenesulfonic acid|CS-1674406
      138-29-4

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 52, # 2 p. 390 - 393,341 - 343

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.1765
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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