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CS-W001157 4
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4-Acetyl-2-chlorobenzoic acid

  • CAS No. 115382-35-9

  • Cat. No. CS-0099110
  • Purity≥97%
  • MDL No.MFCD20639602

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

4-Acetyl-2-chlorobenzoic acid|CS-0099110

Structure of 115382-35-9

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General Information

  • CAS No. 115382-35-9
  • Cat. No. CS-0099110
  • Purity ≥97%
  • MDL No. MFCD20639602
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇ClO₃
  • Molecular Weight 198.60
  • Synonym(s) 4-carboxy-3-chloroacetophenone
  • SMILES O=C(C1=CC=C(C=C1Cl)C(C)=O)O

Description

4-Acetyl-2-chlorobenzoic acid features a chlorinated benzene core bearing both acetyl and carboxylic acid functionalities. This dual-functionalized scaffold enables direct incorporation into pharmaceutical intermediates and specialty polymers. The electron-withdrawing chlorine enhances reactivity at the aromatic ring, while the acetyl group offers a handle for derivatization under mild conditions.

Application

4-Acetyl-2-chlorobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, quinolines, and other heterocyclic scaffolds. The ortho-chloro and acetyl groups provide complementary reactivity for palladium-catalyzed cross-couplings and electrophilic functionalization, while the carboxylic acid facilitates direct derivatization or salt formation. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step sequences requiring robust functional group tolerance.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.2408
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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