Cas no 1807032-09-2 (2-Cyano-3,4-dimethylbenzenesulfonyl chloride)

2-Cyano-3,4-dimethylbenzenesulfonyl chloride is a specialized sulfonyl chloride derivative featuring a cyano group and two methyl substituents on the aromatic ring. This compound is primarily used as a key intermediate in organic synthesis, particularly in the preparation of sulfonamides and other sulfonyl-based derivatives. Its reactive sulfonyl chloride group enables efficient conjugation with amines, alcohols, and other nucleophiles, making it valuable in pharmaceutical and agrochemical applications. The electron-withdrawing cyano group enhances reactivity, while the methyl substituents contribute to steric and electronic modulation. The compound is typically handled under anhydrous conditions due to its moisture sensitivity. Its structural features allow for precise functionalization in complex molecular architectures.
2-Cyano-3,4-dimethylbenzenesulfonyl chloride structure
1807032-09-2 structure
Product Name:2-Cyano-3,4-dimethylbenzenesulfonyl chloride
CAS No:1807032-09-2
MF:C9H8ClNO2S
MW:229.683320045471
CID:5001821
Update Time:2025-05-27

2-Cyano-3,4-dimethylbenzenesulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2-Cyano-3,4-dimethylbenzenesulfonyl chloride
    • Inchi: 1S/C9H8ClNO2S/c1-6-3-4-9(14(10,12)13)8(5-11)7(6)2/h3-4H,1-2H3
    • InChI Key: SEYNMNDHFVBACR-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC(C)=C(C)C=1C#N)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 351
  • XLogP3: 2.4
  • Topological Polar Surface Area: 66.3

2-Cyano-3,4-dimethylbenzenesulfonyl chloride Pricemore >>

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