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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 50737-29-6

  • Cat. No. CS-0117228
  • Purity≥98%
  • MDL No.MFCD06093407

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

5-(Chloromethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole|CS-0117228

Structure of 50737-29-6

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General Information

  • CAS No. 50737-29-6
  • Cat. No. CS-0117228
  • Purity ≥98%
  • MDL No. MFCD06093407
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉ClN₂O
  • Molecular Weight 208.64
  • Synonym(s) 5-(CHLOROMETHYL)-3-P-TOLYL-1,2,4-OXADIAZOLE
  • SMILES CC1=CC=C(C2=NOC(CCl)=N2)C=C1

Synthesis

  • Route1
    • null|null
      93335-40-1
    • ~84%
    • 5-(Chloromethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole|CS-0117228
      50737-29-6

    References

    • Ozcan, Sevil; Kazi, Aslamuzzaman; Marsilio, Frank; Fang, Bin; Guida, Wayne C.; Koomen, John; Lawrence, Harshani R.; Sebti, Said M. Journal of Medicinal Chemistry, 2013 , vol. 56, # 10 p. 3783 - 3805
  • Route2

    References

    • Dueruest, Yaar; Karaku, Hamza; Kaiser, Marcel; Tasdemir, Deniz European Journal of Medicinal Chemistry, 2012 , vol. 48, p. 296 - 304
  • Route3
    • null|null
      104-85-8
    • ~%
    • 5-(Chloromethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole|CS-0117228
      50737-29-6

    References

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

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-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.92
  • LogP   2.78382
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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