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CS-W001157 4
Total: USD 88.00

2-Chloroterephthalic acid

  • CAS No. 1967-31-3

  • Cat. No. CS-W006771
  • Purity≥95%
  • MDL No.MFCD14635792

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

2-Chloroterephthalic acid|CS-W006771

Structure of 1967-31-3

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General Information

  • CAS No. 1967-31-3
  • Cat. No. CS-W006771
  • Purity ≥95%
  • MDL No. MFCD14635792
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClO₄
  • Molecular Weight 200.57
  • Synonym(s) 2-Chlorobenzene-1,4-dicarboxylic acid
  • SMILES O=C(O)C1=CC=C(C(=O)O)C(Cl)=C1

Description

2-Chloroterephthalic acid serves as a key building block in the synthesis of functionalized aromatic polymers and coordination complexes. Featuring two carboxylic acid groups flanked by a chlorine substituent at the para position, it enables selective derivatization under standard conditions. The electron-withdrawing chlorine enhances reactivity in coupling reactions, while maintaining stability during processing. This structure facilitates integration into advanced materials for applications in catalysis and electronic devices.

Application

2-Chloroterephthalic acid serves as a versatile building block in synthetic organic chemistry, enabling direct incorporation of chlorinated aromatic functionality into complex scaffolds. Its dual carboxylic acid groups facilitate amide and ester formation, while the ortho-chloro substituent supports palladium-catalyzed cross-coupling reactions. The compound exhibits good bench stability and is readily purified by recrystallization, making it well-suited for use in medicinal chemistry and materials synthesis workflows.

Synthesis

  • Route1
    • 2-Chloro-1,4-dimethylbenzene|CS-W016448
      95-72-7
    • ~84%
    • In-stock
      2-Chloroterephthalic acid|CS-W006771
      1967-31-3

    References

    • Lammert, Martin; Bernt, Stephan; Vermoortele, Frederik; De Vos, Dirk E.; Stock, Norbert Inorganic Chemistry, 2013 , vol. 52, # 15 p. 8521 - 8528
  • Route2

    References

    • GLAXOSMITHKLINE LLC; SCHULZ, Mark, James; WANG, Yonghui Patent: WO2010/59549 A1, 2010 ; Location in patent: Page/Page column 25 ; WO 2010/059549 A1
  • Route3
    • null|null
      104-82-5
    • ~73%
    • In-stock
      2-Chloroterephthalic acid|CS-W006771
      1967-31-3

    References

    • CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS Patent: US2012/129684 A1, 2012 ;

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   1.7364
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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