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CS-W001157 4
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5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole

  • CAS No. 721428-34-8

  • Cat. No. CS-0036501
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD06366746

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

5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole|CS-0036501

Structure of 721428-34-8

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General Information

  • CAS No. 721428-34-8
  • Cat. No. CS-0036501
  • Purity ≥97%
  • MDL No. MFCD06366746
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClFN₂O
  • Molecular Weight None
  • Synonym(s) 5-CHLOROMETHYL-3-(4-FLUORO-PHENYL)-[1,2,4]OXADIAZOLE
  • SMILES C1=C(C=CC(=C1)F)C2=NOC(=N2)CCl

Synthesis

  • Route1

    References

    • CV THERAPEUTICS, INC. Patent: WO2009/94028 A1, 2009 ; Location in patent: Page/Page column 54 ; WO 2009/094028 A1
  • Route2
    • In-stock
      4-Fluoro-N-hydroxybenzimidamide|CS-0784863
      22179-78-8
    • null|null
      79-04-9
    • ~96%
    • In-stock
      5-(Chloromethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole|CS-0036501
      721428-34-8

    References

    • Dueruest, Yaar; Karaku, Hamza; Kaiser, Marcel; Tasdemir, Deniz European Journal of Medicinal Chemistry, 2012 , vol. 48, p. 296 - 304
  • Route3

    References

    • Diamond, Ivan; Overstreet, David Patent: US2009/124672 A1, 2009 ; US 20090124672 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.92
  • LogP   2.6145
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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