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CS-W001157 4
Total: USD 88.00

3-Amino-5-cyanobenzoic acid

  • CAS No. 1000341-18-3

  • Cat. No. CS-0030477
  • Purity≥95%
  • MDL No.None

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

3-Amino-5-cyanobenzoic acid|CS-0030477

Structure of 1000341-18-3

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General Information

  • CAS No. 1000341-18-3
  • Cat. No. CS-0030477
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₂
  • Molecular Weight 162.15
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(C#N)=CC(N)=C1

Description

3-Amino-5-cyanobenzoic acid features a trifunctional scaffold integrating an amino group, nitrile moiety, and carboxylic acid for modular synthesis. This electron-deficient aromatic core enables direct coupling in peptide mimetics, pharmaceutical intermediates, and functional materials. The compound exhibits robust stability under standard bench conditions and facilitates efficient derivatization via amide or amidine formation.

Application

3-Amino-5-cyanobenzoic acid serves as a versatile building block in medicinal chemistry, enabling access to diverse heterocyclic scaffolds through its complementary amino and cyano functional groups. The carboxylic acid facilitates direct coupling or derivatization, while the meta-oriented substituents offer predictable regioselectivity in electrophilic substitution and transition-metal-catalyzed transformations. Its bench-stable nature and compatibility with standard purification methods support efficient integration into multi-step syntheses of bioactive molecules.

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   87.11
  • LogP   0.83868
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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