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CS-W001157 4
Total: USD 88.00

5-Nitronicotinic acid

  • CAS No. 2047-49-6

  • Cat. No. CS-0030489
  • Purity≥95%
  • MDL No.None

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

5-Nitronicotinic acid|CS-0030489

Structure of 2047-49-6

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General Information

  • CAS No. 2047-49-6
  • Cat. No. CS-0030489
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄N₂O₄
  • Molecular Weight 168.11
  • Synonym(s) 5-Nitronicotinic acid; 5-Nitro Nicotinic Acid
  • SMILES O=C(C1=CC([N+]([O-])=O)=CN=C1)O

Application

5-Nitronicotinic acid serves as a versatile building block in heterocyclic synthesis, enabling efficient access to nitrogen-containing scaffolds via standard functional group transformations. Its ortho-nitro and carboxylic acid groups offer complementary reactivity for coupling reactions, cyclizations, and derivatization under mild conditions. The compound exhibits good bench stability and facilitates purification by recrystallization, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 76, p. 3167
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 76, p. 3167
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 76, p. 3167

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   93.33
  • LogP   0.688
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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