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CS-W001157 4
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1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

  • CAS No. 58905-16-1

  • Cat. No. CS-0326917
  • Purity≥98%
  • MDL No.None

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

1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one|CS-0326917

Structure of 58905-16-1

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General Information

  • CAS No. 58905-16-1
  • Cat. No. CS-0326917
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇Cl₂N₃O
  • Molecular Weight 256.09
  • Synonym(s) 1-(2,4-Dichlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethanone
  • SMILES C1=CC(=C(C=C1Cl)Cl)C(=O)CN2C=NC=N2

Synthesis

  • Route1

    References

    • Lebouvier, Nicolas; Giraud, Francis; Corbin, Typhanie; Na, Young Min; Le Baut, Guillaume; Marchand, Pascal; Le Borgne, Marc Tetrahedron Letters, 2006 , vol. 47, # 36 p. 6479 - 6483
  • Route2

    References

    • Baji, H.; Flammang, M.; Kimny, T.; Gasquez, F.; Compagnon, P. L.; Delcourt, A. European Journal of Medicinal Chemistry, 1995 , vol. 30, # 7-8 p. 617 - 626
  • Route3
    • null|null
      118227-30-8
    • ~89%
    • 1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one|CS-0326917
      58905-16-1

    References

    • Astleford, Bret A.; Goe, Gerald L.; Keay, James G.; Scriven, Eric F. V. Journal of Organic Chemistry, 1989 , vol. 54, # 3 p. 731 - 732

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   47.78
  • LogP   2.4678
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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