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CS-W001157 4
Total: USD 88.00

3-Chloro-4-fluorobenzoic acid

  • CAS No. 403-16-7

  • Cat. No. CS-W018495
  • Purity≥98%
  • MDL No.MFCD00042477

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

3-Chloro-4-fluorobenzoic acid|CS-W018495

Structure of 403-16-7

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General Information

  • CAS No. 403-16-7
  • Cat. No. CS-W018495
  • Purity ≥98%
  • MDL No. MFCD00042477
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClFO₂
  • Molecular Weight 174.56
  • Synonym(s) 4-Fluoro-3-Chlorobenzoicacid
  • SMILES O=C(O)C1=CC=C(F)C(Cl)=C1

Description

3-Chloro-4-fluorobenzoic acid features a strategically positioned chloro and fluoro substituent on the aromatic ring, delivering enhanced electron-withdrawal and metabolic stability. This combination improves solubility in organic media while maintaining crystalline purity. The carboxylic acid group enables direct coupling reactions or salt formation for downstream derivatization in medicinal chemistry and agrochemical synthesis.

Application

3-Chloro-4-fluorobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering orthogonal halogen handles for subsequent cross-coupling reactions. Its carboxylic acid functionality enables direct derivatization into amides, esters, or acyl chlorides, while the meta-chloro and para-fluoro substituents provide excellent functional group tolerance and predictable reactivity in palladium-catalyzed transformations. The compound exhibits good bench stability and ease of purification, making it well-suited for scalable synthesis workflows.

Synthesis

  • Route1

    References

    • Clariant GmbH Patent: US6187952 B1, 2001 ;
  • Route2

    References

    • Gohier, Frederic; Castanet, Anne-Sophie; Mortier, Jacques Journal of Organic Chemistry, 2005 , vol. 70, # 4 p. 1501 - 1504
  • Route3
    • null|null
      60811-21-4
    • null|null
      590-29-4
    • ~93%
    • In-stock
      3-Chloro-4-fluorobenzoic acid|CS-W018495
      403-16-7

    References

    • Korsager, Signe; Taaning, Rolf H.; Skrydstrup, Troels Journal of the American Chemical Society, 2013 , vol. 135, # 8 p. 2891 - 2894

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   2.1773
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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