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CS-W001157 4
Total: USD 88.00

3,5-Dichloro-4-(methoxycarbonyl)benzoic acid

  • CAS No. 264272-64-2

  • Cat. No. CS-0568043
  • Purity≥97%
  • MDL No.None

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

3,5-Dichloro-4-(methoxycarbonyl)benzoic acid|CS-0568043

Structure of 264272-64-2

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General Information

  • CAS No. 264272-64-2
  • Cat. No. CS-0568043
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆Cl₂O₄
  • Molecular Weight 249.05
  • Synonym(s) 4-(methoxycarbonyl)-3,5-dichlorobenzoic acid
  • SMILES O=C(C1=C(Cl)C=C(C(O)=O)C=C1Cl)OC

Description

3,5-Dichloro-4-(methoxycarbonyl)benzoic acid features a sterically hindered aromatic core with two electron-withdrawing chlorine substituents and a methoxycarbonyl group positioned ortho to the carboxylic acid. This combination enhances stability and directs electrophilic substitution patterns in synthetic transformations. The compound serves as a key building block for bioactive heterocycles and functionalized polymers under standard conditions.

Application

3,5-Dichloro-4-(methoxycarbonyl)benzoic acid serves as a versatile building block for the synthesis of substituted aromatic systems and heterocyclic scaffolds. Its orthogonal functional groups—two chlorine substituents and a methoxycarbonyl group—enable selective derivatization via nucleophilic substitution or hydrolysis. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   2.4782
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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