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CS-W001157 4
Total: USD 88.00

5-Methyl-3-(3-nitrophenyl)-1,2,4-oxadiazole

  • CAS No. 25283-98-1

  • Cat. No. CS-0251688
  • Molecule weight205.17
  • Purity≥97%
  • MDL No.None

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

5-Methyl-3-(3-nitrophenyl)-1,2,4-oxadiazole|CS-0251688

Structure of 25283-98-1

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General Information

  • CAS No. 25283-98-1
  • Cat. No. CS-0251688
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃O₃
  • Molecular Weight 205.17
  • Synonym(s) 3-(3-Nitrophenyl)-5-methyl-1,2,4-oxadiazole
  • SMILES O=[N+](C1=CC(C2=NOC(C)=N2)=CC=C1)[O-]

Synthesis

  • Route1
    • null|null
      134285-42-0
    • ~88%
    • 5-Methyl-3-(3-nitrophenyl)-1,2,4-oxadiazole|CS-0251688
      25283-98-1

    References

    • Otaka, Hiromichi; Ikeda, Junya; Tanaka, Daisuke; Tobe, Masanori Tetrahedron Letters, 2014 , vol. 55, # 5 p. 979 - 981
  • Route2
    • (E)-3-Nitrobenzaldehyde Oxime|CS-0784856
      3717-29-1
    • null|null
      75-05-8
    • ~64%
    • 5-Methyl-3-(3-nitrophenyl)-1,2,4-oxadiazole|CS-0251688
      25283-98-1

    References

    • Giurg; Mlochowski Polish Journal of Chemistry, 1997 , vol. 71, # 8 p. 1093 - 1101
  • Route3

    References

    • Schoepff Chemische Berichte, 1885 , vol. 18, p. 1066

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   1.95322
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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