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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-iodobenzoic acid

  • CAS No. 825-98-9

  • Cat. No. CS-W003418
  • Purity≥95%
  • MDL No.MFCD07774250

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

3-Fluoro-4-iodobenzoic acid|CS-W003418

Structure of 825-98-9

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General Information

  • CAS No. 825-98-9
  • Cat. No. CS-W003418
  • Purity ≥95%
  • MDL No. MFCD07774250
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FIO₂
  • Molecular Weight 266.01
  • Synonym(s) 3-Fluoro-4-IodobenzoicAcid
  • SMILES OC(=O)c1ccc(c(c1)F)I

Description

3-Fluoro-4-iodobenzoic acid features a fluorinated aromatic ring paired with iodine and carboxylic acid functional groups, enabling direct coupling in cross-coupling reactions. The electron-withdrawing fluorine enhances reactivity, while the iodide serves as a robust handle for palladium-catalyzed transformations. This compound integrates seamlessly into complex molecular architectures requiring precise substitution patterns.

Application

3-Fluoro-4-iodobenzoic acid serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The ortho-fluoro and para-iodo substituents offer complementary reactivity for sequential functionalization, while the carboxylic acid group facilitates derivatization or direct incorporation into pharmaceutical intermediates. Its bench-stable crystalline form simplifies handling and purification in synthetic workflows.

Synthesis

  • Route1
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    • In-stock
      3-Fluoro-4-iodobenzoic acid|CS-W003418
      825-98-9

    References

    • Journal of Organic Chemistry, , vol. 26, p. 3351 - 3356
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 26, p. 3351 - 3356
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 26, p. 3351 - 3356

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   37.3
  • LogP   2.1285
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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