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CS-W001157 4
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1-(4-Methoxyphenyl)-1H-1,2,4-triazole

  • CAS No. 68377-33-3

  • Cat. No. CS-0466185
  • Molecule weight175.19
  • Purity≥98%
  • MDL No.MFCD12407079

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

1-(4-Methoxyphenyl)-1H-1,2,4-triazole|CS-0466185

Structure of 68377-33-3

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General Information

  • CAS No. 68377-33-3
  • Cat. No. CS-0466185
  • Purity ≥98%
  • MDL No. MFCD12407079
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N₃O
  • Molecular Weight 175.19
  • Synonym(s) 1-(4-Methoxyphenyl)-1H-1,2,4-t
  • SMILES COC1=CC=C(C=C1)N2C=NC=N2

Synthesis

  • Route1

    References

    • Farahat, Abdelbasset A.; Boykin, David W. Tetrahedron Letters, 2014 , vol. 55, # 19 p. 3049 - 3051
  • Route2

    References

    • Zhang, Yihua; Yang, Xinye; Xing, Hui; Zhang, Ye; Lai, Yisheng; Jiang, Yongwen; Ma, Dawei Chinese Journal of Chemistry, 2012 , vol. 30, # 4 p. 875 - 880
  • Route3

    References

    • Hu, Kai; Niyazymbetov, Murat E.; Evans, Denis H. Tetrahedron Letters, 1995 , vol. 36, # 39 p. 7027 - 7030

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

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Computational Chemistry Data

  • TPSA   39.94
  • LogP   1.2759
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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