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CS-W001157 4
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Fluoromethylsulfonylbenzene

  • CAS No. 20808-12-2

  • Cat. No. CS-0038264
  • Molecule weight174.19
  • Purity≥95%
  • MDL No.MFCD00191650

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

Fluoromethylsulfonylbenzene|CS-0038264

Structure of 20808-12-2

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General Information

  • CAS No. 20808-12-2
  • Cat. No. CS-0038264
  • Purity ≥95%
  • MDL No. MFCD00191650
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇FO₂S
  • Molecular Weight 174.19
  • Synonym(s) Fluoromethyl Phenyl Sulfone
  • SMILES C1=CC=C(C=C1)S(=O)(=O)CF

Description

Fluoromethylsulfonylbenzene features a fluoromethylsulfonyl group attached to a benzene ring, delivering a potent electrophilic handle for sulfonation reactions. This bench-stable reagent enables direct introduction of sulfonyl functionality under mild conditions, facilitating efficient derivatization in synthetic organic chemistry workflows.

Application

Fluoromethylsulfonylbenzene serves as a versatile electrophilic fluorinating and sulfonating agent, enabling direct introduction of fluoromethylsulfonyl groups into aromatic and heteroaromatic systems. Its bench-stable nature and compatibility with diverse nucleophiles facilitate efficient synthesis of functionalized benzene derivatives, particularly useful in medicinal chemistry for constructing bioisosteric motifs and modulating metabolic stability.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.3873
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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