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CS-W001157 4
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3-Chlorophenylacetic acid

  • CAS No. 1878-65-5

  • Cat. No. CS-W010777
  • Molecule weight170.59
  • Purity≥98%
  • MDL No.MFCD00004332

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

3-Chlorophenylacetic acid|CS-W010777

Structure of 1878-65-5

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General Information

  • CAS No. 1878-65-5
  • Cat. No. CS-W010777
  • Purity ≥98%
  • MDL No. MFCD00004332
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO₂
  • Molecular Weight 170.59
  • Synonym(s) meta chlorophenylacetic acid; 3-Chlorophenylacetic acid
  • SMILES C1=C(C=CC=C1Cl)CC(O)=O

Description

3-Chlorophenylacetic acid features a chlorinated phenyl ring linked to a carboxylic acid group, offering enhanced electronic and steric properties. This structure enables efficient integration into pharmaceutical intermediates and bioactive molecules, particularly where lipophilicity and metabolic stability are critical. The compound exhibits good solubility in organic solvents and maintains stability under standard bench conditions.

Application

3-Chlorophenylacetic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering a stable arylacetic scaffold with enhanced electrophilicity at the benzylic position. Its functional group tolerance enables reliable derivatization via esterification, amidation, and coupling reactions. The ortho-chloro substituent provides favorable electronic modulation and facilitates downstream transformations such as nucleophilic aromatic substitution or transition-metal-catalyzed cross-couplings. This compound functions effectively in both small-molecule discovery and process-scale applications due to its bench stability and straightforward purification.

Synthesis

  • Route1
    • null|null
      201230-82-2
    • 1-Chloro-3-(chloromethyl)benzene|CS-0653692
      620-20-2
    • ~81%
    • In-stock
      3-Chlorophenylacetic acid|CS-W010777
      1878-65-5

    References

    • Tetrahedron, , vol. 69, # 35 p. 7264 - 7268
  • Route2

    References

    • US2013/303798 A1, ; Paragraph 0018; 0068; 0069 ;
  • Route3
    • 5-Chlorobicyclo[4.2.0]octa-1,3,5-trien-7-one|CS-0262102
      81447-63-4
    • ~98%
    • In-stock
      3-Chlorophenylacetic acid|CS-W010777
      1878-65-5

    References

    • Journal of Organic Chemistry, , vol. 47, # 12 p. 2393 - 2396

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
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.9671
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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