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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 51802-78-9

  • Cat. No. CS-0038380
  • Purity≥97%
  • MDL No.None

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

5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole|CS-0038380

Structure of 51802-78-9

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General Information

  • CAS No. 51802-78-9
  • Cat. No. CS-0038380
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆Cl₂N₂O
  • Molecular Weight 229.06
  • Synonym(s) 3-(3-chlorophenyl)-5-(chloromethyl)-1,2,4-oxadiazole
  • SMILES C1=CC(=CC(=C1)Cl)C2=NOC(=N2)CCl

Synthesis

  • Route1
    • null|null
      93048-81-8
    • ~69%
    • In-stock
      5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole|CS-0038380
      51802-78-9

    References

    • Cottrell, Denise M.; Capers, Jeffrey; Salem, Manar M.; DeLuca-Fradley, Kate; Croft, Simon L.; Werbovetz, Karl A. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 11 p. 2815 - 2824
  • Route2

    References

    • Palazzo,G. et al. Journal of Medicinal and Pharmaceutical Chemistry, 1961 , vol. 4, # 2 p. 351 - 367
  • Route3
    • 3-Chloro-N-hydroxybenzimidamide|CS-0173389
      22179-77-7
    • ~%
    • In-stock
      5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole|CS-0038380
      51802-78-9

    References

    • Packiarajan, Mathivanan; Mazza Ferreira, Christine G.; Hong, Sang-Phyo; White, Andrew D.; Chandrasena, Gamini; Pu, Xiaosui; Brodbeck, Robbin M.; Robichaud, Albert J. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 17 p. 5658 - 5662

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.92
  • LogP   3.1288
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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