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CS-W001157 4
Total: USD 88.00

1-(4-Methoxybenzyl)-1H-1,2,4-triazole

  • CAS No. 115201-42-8

  • Cat. No. CS-0318775
  • Molecule weight189.21
  • Purity95+%
  • MDL No.None

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

1-(4-Methoxybenzyl)-1H-1,2,4-triazole|CS-0318775

Structure of 115201-42-8

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General Information

  • CAS No. 115201-42-8
  • Cat. No. CS-0318775
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁N₃O
  • Molecular Weight 189.21
  • Synonym(s) 1-(4-Methoxybenzyl)-1,2,4-triazole
  • SMILES COC1=CC=C(C=C1)CN2C=NC=N2

Synthesis

  • Route1

    References

    • Pfizer Inc. Patent: US5998623 A1, 1999 ;
  • Route2

    References

    • Pu, Jun; Kreft, Anthony F.; Aschmies, Suzan H.; Atchison, Kevin P.; Berkowitz, Joshua; Caggiano, Thomas J.; Chlenov, Micheal; Diamantidis, George; Harrison, Boyd L.; Hu, Yun; Huryn, Donna; Steven Jacobsen; Jin, Mei; Lipinski, Kerri; Lu, Peimin; Martone, Robert L.; Morris, Koi; Sonnenberg-Reines, June; Riddell, Dave R.; Sabalski, Joan; Sun, Shaiu-Ching; Wagner, Erik; Wang, Yiqun; Xu, Zheng; Zhou, Hua; Resnick, Lynn Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 13 p. 4708 - 4717

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   39.94
  • LogP   1.335
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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