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CS-W001157 4
Total: USD 88.00

(3-Cyanophenoxy)acetic acid

  • CAS No. 1879-58-9

  • Cat. No. CS-0186064
  • Purity≥98%
  • MDL No.None

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

(3-Cyanophenoxy)acetic acid|CS-0186064

Structure of 1879-58-9

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General Information

  • CAS No. 1879-58-9
  • Cat. No. CS-0186064
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₃
  • Molecular Weight 177.16
  • Synonym(s) 2-(3-Cyanophenoxy)
  • SMILES C1=CC(=CC(=C1)OCC(=O)O)C#N

Description

(3-Cyanophenoxy)acetic acid features a para-cyano-substituted phenoxy scaffold integrated with a carboxylic acid handle, enabling direct conjugation in synthetic and medicinal chemistry workflows. This electron-deficient aryl moiety enhances reactivity in coupling reactions while maintaining stability under standard conditions.

Application

(3-Cyanophenoxy)acetic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its ortho-cyano and carboxylic acid functionalities enable direct derivatization via amidation, esterification, or cyclization reactions. The molecule exhibits good bench stability and facilitates efficient purification by recrystallization, making it well-suited for scalable medicinal chemistry campaigns and API precursor development.

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   70.32
  • LogP   1.02168
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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