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CS-W001157 4
Total: USD 88.00

5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride

  • CAS No. 342405-38-3

  • Cat. No. CS-0089460
  • Purity≥95%
  • MDL No.MFCD02681919

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

5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride|CS-0089460

Structure of 342405-38-3

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General Information

  • CAS No. 342405-38-3
  • Cat. No. CS-0089460
  • Purity ≥95%
  • MDL No. MFCD02681919
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉ClN₂O₂S
  • Molecular Weight 256.71
  • Synonym(s) 5-methyl-1-phenyl-pyrazole-4-sulfonyl chloride
  • SMILES O=S(C1=C(C)N(C2=CC=CC=C2)N=C1)(Cl)=O

Description

5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride features a reactive sulfonyl chloride group flanked by an electron-rich pyrazole core and a phenyl substituent. This combination enables efficient coupling in synthetic transformations, particularly in the construction of sulfonamide derivatives for medicinal chemistry applications. The methyl group enhances steric and electronic tuning, while the bench-stable nature facilitates handling under standard conditions.

Application

5-Methyl-1-phenyl-1H-pyrazole-4-sulfonyl chloride serves as a versatile sulfonyl chloride building block for the synthesis of pyrazole-based sulfonamides and sulfonate esters. Its reactivity enables efficient coupling with amines and alcohols under mild conditions, facilitating rapid access to functionalized heterocycles. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in medicinal chemistry campaigns and process-scale synthesis.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   51.96
  • LogP   2.10822
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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