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CS-W001157 4
Total: USD 88.00

1-Iodo-4-(methylsulfonyl)benzene

  • CAS No. 64984-08-3

  • Cat. No. CS-W004040
  • Purity≥95%
  • MDL No.MFCD00955957

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

1-Iodo-4-(methylsulfonyl)benzene|CS-W004040

Structure of 64984-08-3

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General Information

  • CAS No. 64984-08-3
  • Cat. No. CS-W004040
  • Purity ≥95%
  • MDL No. MFCD00955957
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇IO₂S
  • Molecular Weight 282.10
  • Synonym(s) 1-Iodo-4-methanesulfonyl-benzene
  • SMILES CS(C1=CC=C(I)C=C1)(=O)=O

Description

1-Iodo-4-(methylsulfonyl)benzene features a reactive iodine handle paired with a strongly electron-withdrawing methylsulfonyl group, enabling efficient cross-coupling transformations. The sulfone moiety enhances solubility and stability under standard reaction conditions, facilitating its use in Suzuki-Miyaura and Negishi couplings for constructing complex aromatic architectures.

Application

1-Iodo-4-(methylsulfonyl)benzene serves as a versatile aryl halide coupling partner in palladium-catalyzed cross-coupling reactions. The methylsulfonyl group provides strong electron-withdrawing character and excellent functional group stability, enabling reliable Suzuki, Stille, and Negishi couplings. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for constructing biaryl scaffolds in medicinal chemistry and materials science applications.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.6947
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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