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CS-W001157 4
Total: USD 88.00

Ethyl 2-chloro-3-cyano-6-methyl-5-nitroisonicotinate

  • CAS No. 72701-63-4

  • Cat. No. CS-0574447
  • Molecule weight269.64
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-chloro-3-cyano-6-methyl-5-nitroisonicotinate|CS-0574447

Structure of 72701-63-4

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General Information

  • CAS No. 72701-63-4
  • Cat. No. CS-0574447
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈ClN₃O₄
  • Molecular Weight 269.64
  • Synonym(s) 2-Chlor-3-cyan-6-methyl-5-nitro-isonicotinsaeure-aethylester
  • SMILES O=C(C1=C(C#N)C(Cl)=NC(C)=C1[N+]([O-])=O)OCC

Synthesis

  • Route1
    • Ethyl 3-cyano-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-4-carboxylate|CS-0667116
      5427-92-9
    • ~%
    • Ethyl 2-chloro-3-cyano-6-methyl-5-nitroisonicotinate|CS-0574447
      72701-63-4

    References

    • Scientific Papers of the Institute of Physical and Chemical Research (Japan), , vol. 38, p. 347,350
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 119, # 8 p. 1809 - 1817
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 119, # 8 p. 1809 - 1817

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   106.12
  • LogP   2
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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