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Total: USD 88.00

5-Nitronicotinic acid Nicotinic Acid Impurity

  • CAS No. 2047-49-6

  • Cat. No. CS-0229406
  • Purity≥98%
  • MDL No.MFCD04038690

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

5-Nitronicotinic acid Nicotinic Acid  Impurity|CS-0229406

Structure of 2047-49-6

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General Information

  • CAS No. 2047-49-6
  • Cat. No. CS-0229406
  • Purity ≥98%
  • MDL No. MFCD04038690
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄N₂O₄
  • Molecular Weight 168.11
  • Synonym(s) 5-Nitro Nicotinic Acid
  • SMILES O=C(C1=CC([N+]([O-])=O)=CN=C1)O

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

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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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