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CS-W001157 4
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2-Cyano-5-methoxybenzene-1-sulfonyl chloride

  • CAS No. 1261573-04-9

  • Cat. No. CS-W021682
  • Molecule weight231.66
  • Purity≥97%
  • MDL No.MFCD18394209

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

2-Cyano-5-methoxybenzene-1-sulfonyl chloride|CS-W021682

Structure of 1261573-04-9

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General Information

  • CAS No. 1261573-04-9
  • Cat. No. CS-W021682
  • Purity ≥97%
  • MDL No. MFCD18394209
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO₃S
  • Molecular Weight 231.66
  • Synonym(s) None
  • SMILES O=S(C1=CC(OC)=CC=C1C#N)(Cl)=O

Description

2-Cyano-5-methoxybenzene-1-sulfonyl chloride features a sulfonyl chloride group flanked by a cyano and methoxy substituent, enabling selective functionalization in synthetic routes. The electron-withdrawing cyano enhances reactivity while the methoxy group provides steric and electronic modulation. This compound serves as a key intermediate in pharmaceutical and agrochemical synthesis, offering high stability under standard bench conditions and compatibility with diverse reaction media.

Application

2-Cyano-5-methoxybenzene-1-sulfonyl chloride serves as a versatile building block for sulfonamide synthesis, enabling efficient construction of bioactive heterocycles and pharmaceutical intermediates. Its ortho-cyano and meta-methoxy substituents provide enhanced solubility and modulate electronic properties, while the sulfonyl chloride group offers high reactivity in nucleophilic substitution reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable medicinal chemistry applications and functional group interconversions in complex molecule assembly.

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-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   67.16
  • LogP   1.49438
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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