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CS-W001157 4
Total: USD 88.00

Pyridine-3,5-dicarboxylic acid

  • CAS No. 499-81-0

  • Cat. No. CS-W002000
  • Purity≥97%
  • MDL No.MFCD00006393

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

Pyridine-3,5-dicarboxylic acid|CS-W002000

Structure of 499-81-0

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General Information

  • CAS No. 499-81-0
  • Cat. No. CS-W002000
  • Purity ≥97%
  • MDL No. MFCD00006393
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₄
  • Molecular Weight 167.12
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(C(O)=O)=CN=C1

Synthesis

  • Route1
    • null|null
      591-22-0
    • ~72%
    • In-stock
      Pyridine-3,5-dicarboxylic acid|CS-W002000
      499-81-0

    References

    • Shi, Qisong; Zhang, Shu; Wang, Qian; Ma, Hongwei; Yang, Guoqiang; Sun, Wen-Hua Journal of Molecular Structure, 2007 , vol. 837, # 1-3 p. 185 - 189
  • Route2

    References

    • Monsanto Company Patent: US5125956 A1, 1992 ;
  • Route3
    • null|null
      591-22-0
    • ~0%
    • In-stock
      5-Methylnicotinic acid|CS-W002700
      3222-49-9
    • In-stock
      Pyridine-3,5-dicarboxylic acid|CS-W002000
      499-81-0

    References

    • Kyba, Evan P.; Liu, Shiuh-Tzung; Chockalingam, Kannappan; Reddy, B. Raghava Journal of Organic Chemistry, 1988 , vol. 53, # 15 p. 3513 - 3521

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   87.49
  • LogP   0.478
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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