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CS-W001157 4
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4-Amino-2-chlorobenzoic acid

  • CAS No. 2457-76-3

  • Cat. No. CS-W017641
  • Purity≥98%
  • MDL No.MFCD00007772

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

4-Amino-2-chlorobenzoic acid|CS-W017641

Structure of 2457-76-3

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General Information

  • CAS No. 2457-76-3
  • Cat. No. CS-W017641
  • Purity ≥98%
  • MDL No. MFCD00007772
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClNO₂
  • Molecular Weight 171.58
  • Synonym(s) 4ACB
  • SMILES O=C(C1=CC=C(C=C1Cl)N)O

Description

It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Application

4-Amino-2-chlorobenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into heterocyclic scaffolds and peptide conjugates. Its orthogonal functional groups—amino, chloro, and carboxylic acid—facilitate sequential transformations under standard coupling and electrophilic substitution conditions. Bench-stable and amenable to purification via recrystallization or chromatography, it functions reliably in API intermediate synthesis and combinatorial library construction.

Synthesis

  • Route1

    References

    • Gangjee, Aleem; Jain, Hiteshkumar D.; McGuire, John J.; Kisliuk, Roy L. Journal of Medicinal Chemistry, 2004 , vol. 47, # 27 p. 6730 - 6739
  • Route2

    References

    • Journal of the Indian Chemical Society, , vol. 18, p. 25,26
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    • 2-Chloro-4-acetamidobenzoic acid|CS-0222634
      38667-55-9
    • ~%
    • In-stock
      4-Amino-2-chlorobenzoic acid|CS-W017641
      2457-76-3

    References

    • Chemische Berichte, , vol. 40, p. 3394

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   63.32
  • LogP   1.6204
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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