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CS-W001157 4
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4-Cyanobenzenesulfonyl chloride

  • CAS No. 49584-26-1

  • Cat. No. CS-0072131
  • Purity≥97%
  • MDL No.None

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

4-Cyanobenzenesulfonyl chloride|CS-0072131

Structure of 49584-26-1

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General Information

  • CAS No. 49584-26-1
  • Cat. No. CS-0072131
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClNO₂S
  • Molecular Weight 201.63
  • Synonym(s) 4-Cyanobenzenesulphonyl chloride
  • SMILES N#CC1=CC=C(C=C1)S(=O)(Cl)=O

Description

4-Cyanobenzenesulfonyl chloride features a sulfonyl chloride group conjugated to a para-cyano aromatic ring, enabling selective acylation in synthetic transformations. This electron-deficient aryl sulfonamide precursor exhibits enhanced reactivity and stability under standard conditions, facilitating efficient incorporation into pharmaceutical intermediates and functional materials.

Application

4-Cyanobenzenesulfonyl chloride serves as a versatile sulfonating agent for the introduction of the electron-deficient 4-cyanobenzenesulfonyl group into organic substrates. It facilitates efficient amide and sulfonamide formation under mild conditions, exhibits good bench stability, and enables straightforward purification due to its reactivity profile. The cyano group provides orthogonal functionality for further transformations, making it valuable in synthetic routes toward functionalized heterocycles and advanced intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314-H317
Precautionary Statements : P260-P261-P264-P272-P280-P301+P330+P331-P302+P352-P304+P340-P362+P364-P363-P405-P501

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   1.48578
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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