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CS-W001157 4
Total: USD 88.00

2-(4-Fluorophenyl)-2-oxoacetic acid

  • CAS No. 2251-76-5

  • Cat. No. CS-0102796
  • Purity≥96%
  • MDL No.MFCD02250293

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

2-(4-Fluorophenyl)-2-oxoacetic acid|CS-0102796

Structure of 2251-76-5

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General Information

  • CAS No. 2251-76-5
  • Cat. No. CS-0102796
  • Purity ≥96%
  • MDL No. MFCD02250293
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅FO₃
  • Molecular Weight 168.12
  • Synonym(s) 4-Fluoro-a-oxo-benzeneacetic acid
  • SMILES O=C(C(C1=CC=C(C=C1)F)=O)O

Description

2-(4-Fluorophenyl)-2-oxoacetic acid features a fluorinated aromatic ring integrated with a reactive ketone-acid motif, enabling direct incorporation into diverse synthetic scaffolds. This bench-stable, moisture-tolerant reagent facilitates efficient access to functionalized aryl ketones and heterocyclic systems under standard conditions.

Application

2-(4-Fluorophenyl)-2-oxoacetic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of biologically relevant heterocycles and pharmaceutical intermediates. Its α-keto acid functionality facilitates nucleophilic additions, decarboxylation reactions, and condensation processes under mild conditions. The 4-fluorophenyl group imparts enhanced metabolic stability and modulates electronic properties, while the compound exhibits good bench stability and ease of purification—key advantages for scalable synthesis and medicinal chemistry applications.

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   1.093
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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