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CS-W001157 4
Total: USD 88.00

2-Chloro-5-nitroisonicotinic acid

  • CAS No. 907545-47-5

  • Cat. No. CS-0022412
  • Purity≥96%
  • MDL No.MFCD14584664

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

2-Chloro-5-nitroisonicotinic acid|CS-0022412

Structure of 907545-47-5

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General Information

  • CAS No. 907545-47-5
  • Cat. No. CS-0022412
  • Purity ≥96%
  • MDL No. MFCD14584664
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃ClN₂O₄
  • Molecular Weight None
  • Synonym(s) 2-chloro-5-nitro-pyridine-4-carboxylic acid
  • SMILES O=C(C1=CC(Cl)=NC=C1[N+]([O-])=O)O

Description

2-Chloro-5-nitroisonicotinic acid features a chlorine atom at the 2-position and a nitro group at the 5-position on the pyridine ring, delivering high electron deficiency for coupling reactions. This bench-stable, moisture-tolerant derivative integrates readily into pharmaceutical intermediates and functional materials, enabling efficient access to complex heterocyclic architectures under standard conditions.

Application

2-Chloro-5-nitroisonicotinic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted pyridine scaffolds. Its orthogonal functional groups—chlorine at C-2 and nitro at C-5—facilitate diverse downstream transformations, including palladium-catalyzed cross-coupling and selective reduction sequences. The compound exhibits good bench stability and is amenable to standard purification methods, supporting reliable integration into multi-step synthetic workflows.

Synthesis

  • Route1

    References

    • GLAXOSMITHKLINE LLC; RIVERO, Ralph, A.; TEDESCO, Rosanna Patent: WO2013/95761 A1, 2013 ; Location in patent: Page/Page column 39 ;
  • Route2

    References

    • EP2366691 A1, ;
  • Route3

    References

    • EP2366691 A1, ;

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-H312-H315-H319-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   93.33
  • LogP   1.3414
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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