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CS-W001157 4
Total: USD 88.00

Sodium Isonicotinate

  • CAS No. 16887-79-9

  • Cat. No. CS-0157398
  • Purity≥98%
  • MDL No.MFCD00064868

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

Sodium Isonicotinate|CS-0157398

Structure of 16887-79-9

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General Information

  • CAS No. 16887-79-9
  • Cat. No. CS-0157398
  • Purity ≥98%
  • MDL No. MFCD00064868
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄NNaO₂
  • Molecular Weight 145.09
  • Synonym(s) Sodium Pyridine-4-carboxylate
  • SMILES C1=C(C=CN=C1)C(=O)[O-].[Na+]

Description

Sodium Isonicotinate is a bench-stable, moisture-tolerant salt derived from isonicotinic acid, featuring a pyridine ring with a carboxylate group at the 4-position. This structure enables efficient coordination in transition metal catalysis and facilitates solubility in aqueous and polar organic media, streamlining use in synthetic and biochemical workflows.

Application

Sodium isonicotinate serves as a stable, water-soluble source of the isonicotinate anion, enabling efficient metal-catalyzed cross-coupling reactions and serving as a versatile building block in heterocyclic synthesis. Its functional group tolerance and ease of purification facilitate robust bench-scale applications in medicinal chemistry and process development workflows.

Synthesis

  • Route1
    • 4-(4-Nitrobenzyl)pyridine|CS-W014936
      1083-48-3
    • ~%
    • In-stock
      Sodium Isonicotinate|CS-0157398
      16887-79-9

    References

    • Journal of Heterocyclic Chemistry, , vol. 33, # 2 p. 249 - 254
  • Route2
    • null|null
      39055-88-4
    • ~%
    • In-stock
      Sodium Isonicotinate|CS-0157398
      16887-79-9

    References

    • Journal of Heterocyclic Chemistry, , vol. 33, # 2 p. 249 - 254
  • Route3
    • Isonicotinic acid Nicotinic Acid  Impurity|CS-0229405
      55-22-1
    • ~%
    • In-stock
      Sodium Isonicotinate|CS-0157398
      16887-79-9

    References

    • Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, , vol. 71, # 2 p. 644 - 649

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   53.02
  • LogP   -3.5509
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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