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CS-W001157 4
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2-Phenoxybenzoic acid

  • CAS No. 2243-42-7

  • Cat. No. CS-0073045
  • Purity≥98%
  • MDL No.None

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

2-Phenoxybenzoic acid|CS-0073045

Structure of 2243-42-7

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General Information

  • CAS No. 2243-42-7
  • Cat. No. CS-0073045
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀O₃
  • Molecular Weight 214.22
  • Synonym(s) 2-phenoxybenzoate; 2-Phenoxybenzoic acid
  • SMILES O=C(O)C(C=CC=C1)=C1OC2=CC=CC=C2

Description

2-Phenoxybenzoic acid features a phenoxy-substituted benzene ring fused to a carboxylic acid-bearing aromatic system, delivering enhanced solubility and stability in organic synthesis. This structural motif enables efficient coupling reactions and serves as a key scaffold in bioactive compound development.

Application

2-Phenoxybenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling efficient construction of bioactive heterocycles and functionalized aromatic systems. Its ortho-phenoxy substitution pattern enhances molecular rigidity and modulates electronic properties, while the carboxylic acid group facilitates direct derivatization via esterification, amidation, or coupling reactions. Bench-stable and readily purified by recrystallization, it functions reliably in standard synthetic workflows for API intermediates and advanced ligand design.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   3.1771
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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