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CS-W001157 4
Total: USD 88.00

3,4-Dichlorobenzoic acid

  • CAS No. 51-44-5

  • Cat. No. CS-W015855
  • Molecule weight191.01
  • Purity≥98%
  • MDL No.MFCD00002492

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

3,4-Dichlorobenzoic acid|CS-W015855

Structure of 51-44-5

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General Information

  • CAS No. 51-44-5
  • Cat. No. CS-W015855
  • Purity ≥98%
  • MDL No. MFCD00002492
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄Cl₂O₂
  • Molecular Weight 191.01
  • Synonym(s) Benzoic acid, 3,4-dichloro-
  • SMILES C1=C(C=CC(=C1Cl)Cl)C(O)=O

Description

3,4-Dichlorobenzoic acid was employed as internal standard during the multiresidue analysis of pharmaceuticals and personal care products by ultra performance liquid chromatography-positive/negative electrospray tandem mass spectrometry. It was used to study the metabolic fate of 4-chloro-3,5-dinitrobenzoic acid.

Application

3,4-Dichlorobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient derivatization via esterification, amide formation, and Suzuki-Miyaura coupling. Its ortho-dichloro substitution pattern enhances metabolic stability and modulates electronic properties, while the carboxylic acid group offers straightforward purification and functionalization. Bench-stable and readily available, it functions reliably in standard synthetic workflows requiring halogenated aromatic scaffolds.

Synthesis

  • Route1
    • null|null
      98491-16-8
    • ~%
    • In-stock
      3,4-Dichlorobenzoic acid|CS-W015855
      51-44-5

    References

    • Kostromina,O.E. et al. J. Gen. Chem. USSR (Engl. Transl.), 1961 , vol. 31, # 5 p. 1458 - 1462,1350 - 1353
  • Route2
    • null|null
      102-47-6
    • ~%
    • In-stock
      3,4-Dichlorobenzoic acid|CS-W015855
      51-44-5

    References

    • Beilstein Justus Liebigs Annalen der Chemie, 1875 , vol. 179, p. 283 Full Text Show Details Beilstein; Kuhlberg Justus Liebigs Annalen der Chemie, 1869 , vol. 152, p. 238
  • Route3
    • null|null
      7790-94-5
    • 4-Chlorobenzoic acid Bezafibrate Impurity|CS-0229800
      74-11-3
    • ~%
    • In-stock
      3,4-Dichlorobenzoic acid|CS-W015855
      51-44-5

    References

    • I.G. Farbenind. Patent: FR835727 , 1938 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.6916
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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