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CS-W001157 4
Total: USD 88.00

3-(3-Nitrophenyl)-5-phenyl-1,2,4-oxadiazole

  • CAS No. 20844-48-8

  • Cat. No. CS-0254678
  • Purity≥98%
  • MDL No.MFCD00426946

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

3-(3-Nitrophenyl)-5-phenyl-1,2,4-oxadiazole|CS-0254678

Structure of 20844-48-8

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General Information

  • CAS No. 20844-48-8
  • Cat. No. CS-0254678
  • Purity ≥98%
  • MDL No. MFCD00426946
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₉N₃O₃
  • Molecular Weight 267.24
  • Synonym(s) None
  • SMILES O=[N+]([O-])C1=CC=CC(C2=NOC(C3=CC=CC=C3)=N2)=C1

Synthesis

  • Route1
    • Phenylglyoxylonitrile|CS-0019444
      613-90-1
    • N'-Hydroxy-3-nitrobenzimidamide|CS-0897489
      5023-94-9
    • ~74%
    • 3-(3-Nitrophenyl)-5-phenyl-1,2,4-oxadiazole|CS-0254678
      20844-48-8

    References

    • Tetrahedron Letters, , vol. 54, # 27 p. 3526 - 3529
  • Route2

    References

    • Gazzetta Chimica Italiana, , vol. 93, p. 1196 - 1205
  • Route3
    • N'-Hydroxy-3-nitrobenzimidamide|CS-0897489
      5023-94-9
    • null|null
      98-88-4
    • ~%
    • 3-(3-Nitrophenyl)-5-phenyl-1,2,4-oxadiazole|CS-0254678
      20844-48-8

    References

    • Chemische Berichte, , vol. 18, p. 1067

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   82.06
  • LogP   3.3118
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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