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CS-W001157 4
Total: USD 88.00

4-(5-Nitropyridin-2-yl)benzoic acid

  • CAS No. 223127-49-9

  • Cat. No. CS-0320663
  • Molecule weight244.20
  • Purity95+%
  • MDL No.None

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

4-(5-Nitropyridin-2-yl)benzoic acid|CS-0320663

Structure of 223127-49-9

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General Information

  • CAS No. 223127-49-9
  • Cat. No. CS-0320663
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₈N₂O₄
  • Molecular Weight 244.20
  • Synonym(s) None
  • SMILES C1=C(C=CC(=C1)C(=O)O)C2=NC=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • Methyl 4-(5-nitropyridin-2-yl)benzoate|CS-0323960
      223127-51-3
    • ~87%
    • 4-(5-Nitropyridin-2-yl)benzoic acid|CS-0320663
      223127-49-9

    References

    • Motiwala, Hashim; Kandre, Shivaji; Birar, Vishal; Kadam, Kishorkumar S.; Rodge, Atish; Jadhav, Ravindra D.; Mahesh Kumar Reddy; Brahma, Manoja K.; Deshmukh, Nitin J.; Dixit, Amol; Doshi, Lalit; Gupte, Amol; Gangopadhyay, Ashok K.; Vishwakarma, Ram A.; Srinivasan, Shaila; Sharma, Mamta; Nemmani, Kumar V.S.; Sharma, Rajiv Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 19 p. 5812 - 5817
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 19 p. 5812 - 5817
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 19 p. 5812 - 5817

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   93.33
  • LogP   2.355
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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