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CS-W001157 4
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Ethyl 5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylate

  • CAS No. 16459-33-9

  • Cat. No. CS-0122696
  • Purity≥98%
  • MDL No.MFCD07388503

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

Ethyl 5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylate|CS-0122696

Structure of 16459-33-9

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General Information

  • CAS No. 16459-33-9
  • Cat. No. CS-0122696
  • Purity ≥98%
  • MDL No. MFCD07388503
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂N₄O₄
  • Molecular Weight 276.25
  • Synonym(s) 5-Amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
  • SMILES O=C(C1=C(N)N(C2=CC=CC=C2[N+]([O-])=O)N=C1)OCC

Synthesis

  • Route1
    • null|null
      16459-31-7
    • ~65%
    • Ethyl 5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylate|CS-0122696
      16459-33-9

    References

    • Costanzo; Bruni; Guerrini; Selleri; Malmberg Aiello; Lamberti Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 6 p. 1499 - 1505
  • Route2
    • null|null
      3034-19-3
    • ~%
    • Ethyl 5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylate|CS-0122696
      16459-33-9

    References

    • Costanzo; Bruni; Guerrini; Selleri; Malmberg Aiello; Lamberti Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 6 p. 1499 - 1505
  • Route3

    References

    • Costanzo; Bruni; Guerrini; Selleri; Malmberg Aiello; Lamberti Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 6 p. 1499 - 1505

Safety Information

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Computational Chemistry Data

  • TPSA   113.28
  • LogP   1.5394
  • H_Acceptors   7
  • H_Donors   1
  • Rotatable_Bonds   4

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