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CS-W001157 4
Total: USD 88.00

Ethyl 5-methyl-4-nitro-1H-pyrazole-3-carboxylate

  • CAS No. 28668-07-7

  • Cat. No. CS-0328130
  • Molecule weight199.16
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-methyl-4-nitro-1H-pyrazole-3-carboxylate|CS-0328130

Structure of 28668-07-7

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General Information

  • CAS No. 28668-07-7
  • Cat. No. CS-0328130
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉N₃O₄
  • Molecular Weight 199.16
  • Synonym(s) 5-Methyl-4-nitro-2H-pyrazole-3-carboxylic acid ethyl ester
  • SMILES O=C(C1=NNC(C)=C1[N+]([O-])=O)OCC

Synthesis

  • Route1
    • In-stock
      5-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid|CS-0206578
      5334-38-3
    • null|null
      7664-93-9
    • ~91%
    • In-stock
      Ethyl 5-methyl-4-nitro-1H-pyrazole-3-carboxylate|CS-0328130
      28668-07-7

    References

    • Massachusetts Institute of Technology Patent: US4282361 A1, 1981 ;
  • Route2

    References

    • Musante Gazzetta Chimica Italiana, 1945 , vol. 75, p. 121,133 Full Text Show Details Robins et al. Journal of Organic Chemistry, 1956 , vol. 21, p. 833,835,836
  • Route3

    References

    • Musante Gazzetta Chimica Italiana, 1945 , vol. 75, p. 121,133

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 : 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   98.12
  • LogP   0.80302
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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