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CS-W001157 4
Total: USD 88.00

2-Chloro-5-methylbenzoic acid

  • CAS No. 6342-60-5

  • Cat. No. CS-W008213
  • Purity≥97%
  • MDL No.MFCD00045798

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

2-Chloro-5-methylbenzoic acid|CS-W008213

Structure of 6342-60-5

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General Information

  • CAS No. 6342-60-5
  • Cat. No. CS-W008213
  • Purity ≥97%
  • MDL No. MFCD00045798
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO₂
  • Molecular Weight 170.59
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(C)=CC=C1Cl

Description

2-Chloro-5-methylbenzoic acid features a strategically positioned chloro group and methyl substituent on the aromatic ring, enabling selective functionalization in medicinal chemistry. This electron-deficient scaffold integrates readily into bioactive molecules, offering enhanced metabolic stability and controlled lipophilicity for drug discovery applications.

Application

2-Chloro-5-methylbenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the aromatic ring through palladium-catalyzed cross-coupling reactions. Its ortho-chloro substituent facilitates selective derivatization, while the carboxylic acid group supports straightforward amide, ester, and acyl chloride transformations. The methyl group provides a site for oxidation or further substitution, enhancing structural diversity. Bench-stable and readily purified by recrystallization, it functions efficiently in standard synthetic workflows requiring moderate reactivity and high functional group compatibility.

Synthesis

  • Route1
    • 1-(2-Chloro-5-methylphenyl)ethanone|CS-0884219
      73129-52-9
    • ~%
    • In-stock
      2-Chloro-5-methylbenzoic acid|CS-W008213
      6342-60-5

    References

    • Journal fuer Praktische Chemie (Leipzig), , vol. <2> 46, p. 26
  • Route2
    • null|null
      106-43-4
    • ~%
    • In-stock
      2-Chloro-5-methylbenzoic acid|CS-W008213
      6342-60-5

    References

    • Journal fuer Praktische Chemie (Leipzig), , vol. <2> 46, p. 26
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 25, p. 1016 - 1020

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   2.34662
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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