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CS-W001157 4
Total: USD 88.00

4-Methylbenzo[c][1,2,5]oxadiazole

  • CAS No. 29091-40-5

  • Cat. No. CS-0058599
  • Molecule weight134.14
  • Purity≥98%
  • MDL No.MFCD00100600

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

4-Methylbenzo[c][1,2,5]oxadiazole|CS-0058599

Structure of 29091-40-5

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General Information

  • CAS No. 29091-40-5
  • Cat. No. CS-0058599
  • Purity ≥98%
  • MDL No. MFCD00100600
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O
  • Molecular Weight 134.14
  • Synonym(s) 4-Methyl-2,1,3-benzoxadiazole
  • SMILES CC1=CC=CC2=NON=C21

Synthesis

  • Route1
    • null|null
      3523-86-2
    • ~%
    • 4-Methylbenzo[c][1,2,5]oxadiazole|CS-0058599
      29091-40-5

    References

    • Sundermann, Bernd Dr.; Sundermann, Corinna Dr.; Ijzermann, Adriaan Pieter Prof.Dr.; Tromp, Reynier Dr.; von Frijtag Drabbe Kuenzel, Jacobien Patent: EP1352910 A1, 2003 ; Location in patent: Page/Page column 26-27 ;
  • Route2
    • null|null
      16714-18-4
    • ~%
    • 4-Methylbenzo[c][1,2,5]oxadiazole|CS-0058599
      29091-40-5

    References

    • Deghati, Paymaneh Y. F.; Borghini, Alice; Van Den Nieuwendijk, Adrianus M. C. H.; Dissen-de Groote, Miriam; IJzerman, Adriaan P. Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 6 p. 899 - 908
  • Route3
    • null|null
      42055-27-6
    • ~%
    • 4-Methylbenzo[c][1,2,5]oxadiazole|CS-0058599
      29091-40-5

    References

    • Zincke; Schwarz Justus Liebigs Annalen der Chemie, 1899 , vol. 307, p. 43

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   38.92
  • LogP   1.53122
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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