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CS-W001157 4
Total: USD 88.00

4-(Methylsulfonyl)benzonitrile

  • CAS No. 22821-76-7

  • Cat. No. CS-M0385
  • Purity≥98%
  • MDL No.MFCD00216489

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

4-(Methylsulfonyl)benzonitrile|CS-M0385

Structure of 22821-76-7

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General Information

  • CAS No. 22821-76-7
  • Cat. No. CS-M0385
  • Purity ≥98%
  • MDL No. MFCD00216489
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₂S
  • Molecular Weight 181.21
  • Synonym(s) 4-METHANESULFONYL-BENZONITRILE
  • SMILES N#CC1=CC=C(C=C1)S(=O)(C)=O

Description

4-(Methylsulfonyl)benzonitrile features a para-substituted aromatic core bearing both a nitrile and a methylsulfonyl group, enabling its use in constructing electron-deficient heterocycles. The sulfonyl moiety enhances solubility and metabolic stability, while the nitrile serves as a key handle for nucleophilic transformations. This compound is bench-stable and compatible with standard coupling protocols.

Application

4-(Methylsulfonyl)benzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and functionalized aryl scaffolds. Its dual functionality—electron-withdrawing nitrile and sulfone groups—facilitates nucleophilic aromatic substitution and transition-metal-catalyzed coupling reactions. The compound exhibits excellent bench stability, ease of purification, and compatibility with diverse reaction conditions, making it ideal for iterative synthesis and library generation.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   0.96178
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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