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CS-W001157 4
Total: USD 88.00

4-(5-Methyl-1,2,4-oxadiazol-3-yl)phenol

  • CAS No. 49787-02-2

  • Cat. No. CS-0452962
  • Molecule weight176.17
  • Purity≥98%
  • MDL No.None

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

4-(5-Methyl-1,2,4-oxadiazol-3-yl)phenol|CS-0452962

Structure of 49787-02-2

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General Information

  • CAS No. 49787-02-2
  • Cat. No. CS-0452962
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 4-(5-methyl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one
  • SMILES CC1=NC(=NO1)C2=CC=C(C=C2)O

Synthesis

  • Route1
    • 3-(4-Methoxyphenyl)-5-methyl-1,2,4-oxadiazole|CS-0709963
      5311-71-7
    • ~83%
    • In-stock
      4-(5-Methyl-1,2,4-oxadiazol-3-yl)phenol|CS-0452962
      49787-02-2

    References

    • Sadek, Bassem; Fahelelbom, Khairi Mustafa Salem Molecules, 2011 , vol. 16, # 6 p. 4339 - 4347
  • Route2

    References

    • Grassmann, Sven; Sadek, Bassem; Ligneau, Xavier; Elz, Sigurd; Ganellin, C. Robin; Arrang, Jean-Michel; Schwartz, Jean-Charles; Stark, Holger; Schunack, Walter European Journal of Pharmaceutical Sciences, 2002 , vol. 15, # 4 p. 367 - 378
  • Route3

    References

    • Grassmann, Sven; Sadek, Bassem; Ligneau, Xavier; Elz, Sigurd; Ganellin, C. Robin; Arrang, Jean-Michel; Schwartz, Jean-Charles; Stark, Holger; Schunack, Walter European Journal of Pharmaceutical Sciences, 2002 , vol. 15, # 4 p. 367 - 378

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   59.15
  • LogP   1.75062
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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