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CS-W001157 4
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Methyl 4-fluoro-3-nitrobenzoate

  • CAS No. 329-59-9

  • Cat. No. CS-W004731
  • Purity≥98%
  • MDL No.MFCD00196161

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

Methyl 4-fluoro-3-nitrobenzoate|CS-W004731

Structure of 329-59-9

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General Information

  • CAS No. 329-59-9
  • Cat. No. CS-W004731
  • Purity ≥98%
  • MDL No. MFCD00196161
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO₄
  • Molecular Weight 199.14
  • Synonym(s) 4-Fluoro-3-nitrobenzoic Acid Methyl Ester
  • SMILES FC1=C(C=C(C(=O)OC)C=C1)[N+](=O)[O-]

Description

Methyl 4-fluoro-3-nitrobenzoate features a fluorine atom at the para position and a nitro group at the meta position relative to the ester, creating a highly electron-deficient aromatic ring. This combination enhances reactivity in cross-coupling processes and enables direct functionalization under mild conditions. The molecule exhibits excellent stability and solubility in common organic solvents, facilitating use in synthetic workflows.

Synthesis

  • Route1
    • In-stock
      4-Fluoro-3-nitrobenzoic acid|CS-W008650
      453-71-4
    • null|null
      74-88-4
    • ~96%
    • In-stock
      Methyl 4-fluoro-3-nitrobenzoate|CS-W004731
      329-59-9

    References

    • Kilburn, John Paul; Andersen, Henrik Sune; Kampen, Gita Camilla Tejlgaard; Ebdrup, Soren Patent: US2009/118259 A1, 2009 ; Location in patent: Page/Page column 44 ; US 20090118259 A1
  • Route2
    • null|null
      67-56-1
    • In-stock
      4-Fluoro-3-nitrobenzoic acid|CS-W008650
      453-71-4
    • ~99%
    • In-stock
      Methyl 4-fluoro-3-nitrobenzoate|CS-W004731
      329-59-9

    References

    • MERCK PATENT GMBH; SCHULTZ, Melanie; SCHIEMANN, Kai; STAEHLE, Wolfgang Patent: WO2010/112124 A1, 2010 ; Location in patent: Page/Page column 69 ; WO 2010/112124 A1
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 1 p. 200 - 203

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

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.5205
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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