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CS-W001157 4
Total: USD 88.00

1-Fluoro-3-(methylsulfonyl)benzene

  • CAS No. 657-46-5

  • Cat. No. CS-0150139
  • Purity≥98%
  • MDL No.MFCD11519068

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

1-Fluoro-3-(methylsulfonyl)benzene|CS-0150139

Structure of 657-46-5

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General Information

  • CAS No. 657-46-5
  • Cat. No. CS-0150139
  • Purity ≥98%
  • MDL No. MFCD11519068
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇FO₂S
  • Molecular Weight 174.19
  • Synonym(s) 1-fluoro-3-methanesulfonylbenzene
  • SMILES CS(=O)(=O)C1=CC=CC(=C1)F

Description

1-Fluoro-3-(methylsulfonyl)benzene features a fluorine atom ortho to a methylsulfonyl group on a benzene ring, delivering enhanced electron-withdrawing character and improved metabolic stability. This combination enables selective electrophilic substitution and facilitates incorporation into pharmaceutical scaffolds requiring controlled reactivity and solubility under standard conditions.

Application

1-Fluoro-3-(methylsulfonyl)benzene serves as a versatile aryl fluorosulfone building block, enabling palladium-catalyzed cross-coupling reactions with high functional group tolerance. The meta-fluoro and methylsulfonyl groups provide orthogonal reactivity, facilitating sequential transformations in complex molecule synthesis. Bench-stable and readily purified by chromatography, it functions effectively in Suzuki-Miyaura and Negishi coupling protocols for constructing biaryl and heterocyclic scaffolds common in medicinal chemistry.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.2292
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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