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CS-W001157 4
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2-Aminoisophthalic acid

  • CAS No. 39622-79-2

  • Cat. No. CS-0008233
  • Purity≥97%
  • MDL No.MFCD00817808

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

2-Aminoisophthalic acid|CS-0008233

Structure of 39622-79-2

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General Information

  • CAS No. 39622-79-2
  • Cat. No. CS-0008233
  • Purity ≥97%
  • MDL No. MFCD00817808
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₄
  • Molecular Weight 181.15
  • Synonym(s) 2,6-DicarboxyAniline
  • SMILES O=C(O)C1=CC=CC(C(=O)O)=C1N

Description

2-Aminoisophthalic acid features a rigid aromatic core with strategically positioned amino and carboxylic acid groups, enabling efficient integration into coordination networks and functional polymers. This ortho-substituted scaffold supports metal chelation and facilitates conjugation in bioactive molecule design.

Application

2-Aminoisophthalic acid serves as a versatile building block in medicinal chemistry and materials science, enabling the synthesis of heterocyclic scaffolds and functional polymers. Its ortho-dicarboxylic acid and primary amine functionalities offer orthogonal reactivity for peptide coupling, cyclization, and metal coordination. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows and scale-up 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   100.62
  • LogP   0.6652
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   2

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