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CS-W001157 4
Total: USD 88.00

2-Chloro-3-cyanobenzoic acid

  • CAS No. 1261499-34-6

  • Cat. No. CS-0060304
  • Purity≥97%
  • MDL No.None

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

2-Chloro-3-cyanobenzoic acid|CS-0060304

Structure of 1261499-34-6

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General Information

  • CAS No. 1261499-34-6
  • Cat. No. CS-0060304
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄ClNO₂
  • Molecular Weight 181.58
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=CC(C#N)=C1Cl

Description

2-Chloro-3-cyanobenzoic acid features a strategically positioned cyano group flanking a chlorinated aromatic ring, enabling efficient coupling in Suzuki-Miyaura and Ullmann reactions. This electron-deficient scaffold integrates readily into bioactive heterocycles and serves as a key intermediate in pharmaceutical synthesis under standard conditions.

Application

2-Chloro-3-cyanobenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted heterocycles and bioactive scaffolds. Its ortho-chloro and cyano groups provide sites for palladium-catalyzed cross-coupling and nucleophilic substitution, while the carboxylic acid facilitates derivatization via amide or ester formation. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic workflows in API 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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.90988
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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