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CS-W001157 4
Total: USD 88.00

6-Fluoro-4-nitroisobenzofuran-1(3H)-one

  • CAS No. 1207453-90-4

  • Cat. No. CS-M2038
  • Molecule weight197.12
  • Purity≥98%
  • MDL No.MFCD22370184

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

6-Fluoro-4-nitroisobenzofuran-1(3H)-one|CS-M2038

Structure of 1207453-90-4

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General Information

  • CAS No. 1207453-90-4
  • Cat. No. CS-M2038
  • Purity ≥98%
  • MDL No. MFCD22370184
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄FNO₄
  • Molecular Weight 197.12
  • Synonym(s) 6-Fluoro-4-nitro-2-benzofuran-1(3H)-one
  • SMILES O=C1OCC2=C1C=C(F)C=C2[N+]([O-])=O

Description

6-Fluoro-4-nitroisobenzofuran-1(3H)-one features a fluorinated isobenzofuranone core with a nitro group at the 4-position, delivering enhanced electron-withdrawing character and metabolic stability. This scaffold integrates readily into synthetic intermediates for pharmaceuticals and agrochemicals, offering high reactivity under standard conditions.

Application

6-Fluoro-4-nitroisobenzofuran-1(3H)-one serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated heterocyclic scaffolds. Its reactivity profile supports direct functionalization at the 6-fluoro position and reduction of the nitro group under standard conditions, facilitating access to diverse analogs. The compound exhibits good bench stability and compatibility with common purification methods, making it well-suited for iterative synthetic campaigns targeting bioactive molecules.

Synthesis

  • Route1
    • null|null
      850462-65-6
    • ~79%
    • In-stock
      6-Fluoro-4-nitroisobenzofuran-1(3H)-one|CS-M2038
      1207453-90-4

    References

    • BIOMARIN PHARMACEUTICAL INC.; WANG, Bing; CHU, Daniel Patent: WO2011/130661 A1, 2011 ; Location in patent: Page/Page column 122 ;
  • Route2

    References

    • BIOMARIN PHARMACEUTICAL INC.; WANG, Bing; CHU, Daniel Patent: WO2011/130661 A1, 2011 ;
  • Route3

    References

    • BIOMARIN PHARMACEUTICAL INC.; WANG, Bing; CHU, Daniel Patent: WO2011/130661 A1, 2011 ;

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-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   69.44
  • LogP   1.4043
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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