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CS-W001157 4
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3-Chloro-4-iodobenzoic acid

  • CAS No. 58123-72-1

  • Cat. No. CS-0041182
  • Purity≥95%
  • MDL No.MFCD06637386

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

3-Chloro-4-iodobenzoic acid|CS-0041182

Structure of 58123-72-1

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General Information

  • CAS No. 58123-72-1
  • Cat. No. CS-0041182
  • Purity ≥95%
  • MDL No. MFCD06637386
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClIO₂
  • Molecular Weight 282.46
  • Synonym(s) 3-chloro-4-iodo-benzoic acid
  • SMILES O=C(O)C1=CC=C(I)C(Cl)=C1

Description

3-Chloro-4-iodobenzoic acid features a benzene ring bearing chlorine and iodine substituents at ortho and meta positions relative to the carboxylic acid group. This configuration imparts enhanced electrophilicity and stability, enabling efficient coupling reactions in cross-coupling protocols. The carboxylic acid functionality facilitates direct derivatization or salt formation for improved solubility and handling.

Application

3-Chloro-4-iodobenzoic acid serves as a versatile building block for transition-metal-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl scaffolds. The ortho-chloro and para-iodo substituents offer orthogonal reactivity for sequential functionalization. Its bench-stable carboxylic acid group facilitates direct derivatization or use in amide coupling protocols, making it well-suited for medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • 3-Chloro-4-iodobenzaldehyde|CS-0492401
      148334-14-9
    • ~%
    • In-stock
      3-Chloro-4-iodobenzoic acid|CS-0041182
      58123-72-1

    References

    • Hodgson; Beard Journal of the Chemical Society, 1927 , p. 25
  • Route2
    • 4-Iodo-3-nitrobenzaldehyde|CS-0567967
      101420-88-6
    • ~%
    • In-stock
      3-Chloro-4-iodobenzoic acid|CS-0041182
      58123-72-1

    References

    • Hodgson; Beard Journal of the Chemical Society, 1927 , p. 25
  • Route3

    References

    • Hodgson; Beard Journal of the Chemical Society, 1927 , p. 25

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   37.3
  • LogP   2.6428
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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