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Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate

  • CAS No. 866040-66-6

  • Cat. No. CS-0151649
  • Purity≥97%
  • MDL No.MFCD03848619

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

Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate|CS-0151649

Structure of 866040-66-6

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General Information

  • CAS No. 866040-66-6
  • Cat. No. CS-0151649
  • Purity ≥97%
  • MDL No. MFCD03848619
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀N₂O₅
  • Molecular Weight 262.22
  • Synonym(s) 5-(3-nitrophenyl)-3-Isoxazolecarboxylic acid ethyl ester
  • SMILES CCOC(=O)C1=NOC(=C1)C2=CC(=CC=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • Ethyl 4-(3-nitrophenyl)-2,4-dioxobutanoate|CS-0122072
      57961-49-6
    • ~%
    • Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate|CS-0151649
      866040-66-6

    References

    • Akbarzadeh, Tahmineh; Rafinejad, Ali; Mollaghasem, Javad Malekian; Safavi, Maliheh; Fallah-Tafti, Asal; Pordeli, Mahboobeh; Ardestani, Sussan Kabudanian; Shafiee, Abbas; Foroumadi, Alireza Archiv der Pharmazie, 2012 , vol. 345, # 5 p. 386 - 392

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H314-H317
Precautionary Statements : P234-P260-P261-P264-P272-P280-P301+P330+P331-P302+P352-P304+P340-P362+P364-P363-P390-P405-P406-P501

Quality Control

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Computational Chemistry Data

  • TPSA   95.47
  • LogP   2.4265
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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