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CS-W001157 4
Total: USD 88.00

3,4,5-Trichlorobenzoic acid

  • CAS No. 51-39-8

  • Cat. No. CS-W002282
  • Purity≥98%
  • MDL No.MFCD00061128

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

3,4,5-Trichlorobenzoic acid|CS-W002282

Structure of 51-39-8

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General Information

  • CAS No. 51-39-8
  • Cat. No. CS-W002282
  • Purity ≥98%
  • MDL No. MFCD00061128
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃Cl₃O₂
  • Molecular Weight 225.46
  • Synonym(s) Brn 3267440
  • SMILES OC(=O)c1cc(Cl)c(c(c1)Cl)Cl

Description

3,4,5-Trichlorobenzoic acid features a highly electron-deficient aromatic ring stabilized by three chlorine substituents. This configuration enhances its utility in electrophilic substitution reactions and as a building block for functionalized heterocycles. The compound exhibits excellent bench stability and solubility in common organic solvents, facilitating straightforward handling in synthetic workflows.

Application

3,4,5-Trichlorobenzoic acid serves as a robust building block in medicinal chemistry and agrochemical synthesis, offering high functional group tolerance and excellent bench stability. Its three chlorine substituents enhance electrophilic reactivity and facilitate downstream derivatization via amide formation, esterification, or coupling reactions. The compound functions effectively in standard peptide coupling protocols and enables efficient access to chlorinated aromatic scaffolds relevant to API development.

Synthesis

  • Route1
    • null|null
      7664-93-9
    • In-stock
      4-Amino-3,5-dichlorobenzoic acid|CS-W015355
      56961-25-2
    • ~%
    • In-stock
      3,4,5-Trichlorobenzoic acid|CS-W002282
      51-39-8

    References

    • THE WELLCOME FOUNDATION LIMITED Patent: EP459819 A2, 1991 ;
  • Route2
    • null|null
      124-38-9
    • In-stock
      5-Bromo-1,2,3-trichlorobenzene|CS-W008419
      21928-51-8
    • ~%
    • In-stock
      3,4,5-Trichlorobenzoic acid|CS-W002282
      51-39-8

    References

    • Schlosser, Manfred; Heiss, Christophe; Marzi, Elena; Scopelliti, Rosario European Journal of Organic Chemistry, 2006 , # 19 p. 4398 - 4404
  • Route3
    • 2,3,4,5,6-Pentachlorobenzoic acid|CS-0267390
      1012-84-6
    • ~%
    • In-stock
      3,4,5-Trichlorobenzoic acid|CS-W002282
      51-39-8

    References

    • Trukhin; Adonin; Starichenko Russian Journal of Organic Chemistry, 2002 , vol. 38, # 6 p. 900 - 901

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   3.345
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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