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

  • CAS No. 58905-26-3

  • Cat. No. CS-0322858
  • Molecule weight187.20
  • Purity≥97%
  • MDL No.MFCD00214689

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

1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethan-1-one|CS-0322858

Structure of 58905-26-3

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General Information

  • CAS No. 58905-26-3
  • Cat. No. CS-0322858
  • Purity ≥97%
  • MDL No. MFCD00214689
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉N₃O
  • Molecular Weight 187.20
  • Synonym(s) Ethanone, 1-phenyl-2-(1H-1,2,4-triazol-1-yl)-
  • SMILES C1=CC=C(C=C1)C(=O)CN2C=NC=N2

Synthesis

  • Route1

    References

    • Abdel-Megid, Mohamed; Elnagdi, Mohamed H.; Negm, Abdalla M. Journal of Heterocyclic Chemistry, 2002 , vol. 39, # 1 p. 105 - 108
  • Route2
    • In-stock
      1,2,4-Triazole|CS-D1150
      288-88-0
    • null|null
      70-11-1
    • ~82%
    • null|null
      120669-94-5
    • 1-Phenyl-2-(1H-1,2,4-triazol-1-yl)ethan-1-one|CS-0322858
      58905-26-3

    References

    • Bulger, Paul G.; Cottrell, Ian F.; Cowden, Cameron J.; Davies, Antony J.; Dolling, Ulf-H. Tetrahedron Letters, 2000 , vol. 41, # 8 p. 1297 - 1301
  • Route3

    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

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-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   47.78
  • LogP   1.161
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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