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CS-W001157 4
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4-Iodophthalic acid

  • CAS No. 6301-60-6

  • Cat. No. CS-0041129
  • Molecule weight292.03
  • Purity≥97%
  • MDL No.MFCD00673159

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

4-Iodophthalic acid|CS-0041129

Structure of 6301-60-6

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General Information

  • CAS No. 6301-60-6
  • Cat. No. CS-0041129
  • Purity ≥97%
  • MDL No. MFCD00673159
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅IO₄
  • Molecular Weight 292.03
  • Synonym(s) 4-Iodo-1,2-benzenedicarboxylic acid
  • SMILES O=C(C1=CC=C(I)C=C1C(O)=O)O

Description

4-Iodophthalic acid features a para-iodinated aromatic core with two carboxylic acid functionalities, enabling straightforward coupling and derivatization in synthetic workflows. This bench-stable reagent integrates readily into conjugation strategies requiring halogen-directed functionalization or metal-catalyzed transformations.

Application

4-Iodophthalic acid serves as a versatile building block for the synthesis of iodinated aromatic scaffolds and functionalized phthalimides. Its dual carboxylic acid functionalities enable straightforward amidation, esterification, and coupling reactions, while the iodine substituent facilitates palladium-catalyzed cross-coupling transformations such as Suzuki-Miyaura and Sonogashira reactions. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for use in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Tajik; Esmaeili; Mohammadpoor-Baltork; Ershadi; Tajmehri Synthetic Communications, 2003 , vol. 33, # 8 p. 1319 - 1323
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 16, p. 1275
  • Route3

    References

    • Chemische Berichte, , vol. 33, p. 2884

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   74.6
  • LogP   1.6876
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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