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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 57611-19-5

  • Cat. No. CS-0210332
  • Purity≥95%
  • MDL No.MFCD00452243

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

5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole|CS-0210332

Structure of 57611-19-5

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General Information

  • CAS No. 57611-19-5
  • Cat. No. CS-0210332
  • Purity ≥95%
  • MDL No. MFCD00452243
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClN₃O₃
  • Molecular Weight 239.62
  • Synonym(s) 5-CHLOROMETHYL-3-(4-NITRO-PHENYL)-[1,2,4]OXADIAZOLE
  • SMILES C1=C(C=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)CCl

Synthesis

  • Route1
    • null|null
      192332-48-2
    • null|null
      79-04-9
    • ~45%
    • In-stock
      5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole|CS-0210332
      57611-19-5

    References

    • Dueruest, Yaar; Karaku, Hamza; Kaiser, Marcel; Tasdemir, Deniz European Journal of Medicinal Chemistry, 2012 , vol. 48, p. 296 - 304
  • Route2
    • null|null
      111457-49-9
    • ~66%
    • In-stock
      5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole|CS-0210332
      57611-19-5

    References

    • Hussein, Ahmad Q. Heterocycles, 1987 , vol. 26, # 1 p. 163 - 173
  • Route3
    • null|null
      192332-48-2
    • ~%
    • In-stock
      5-(Chloromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole|CS-0210332
      57611-19-5

    References

    • Heterocycles, , vol. 26, # 1 p. 163 - 173

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   82.06
  • LogP   2.3836
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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