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CS-W001157 4
Total: USD 88.00

1-(4-Chlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethan-1-one

  • CAS No. 58905-19-4

  • Cat. No. CS-0268164
  • Purity≥98%
  • MDL No.None

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

1-(4-Chlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethan-1-one|CS-0268164

Structure of 58905-19-4

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General Information

  • CAS No. 58905-19-4
  • Cat. No. CS-0268164
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈ClN₃O
  • Molecular Weight 221.64
  • Synonym(s) 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-ethanone
  • SMILES C1=C(C=CC(=C1)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

    • Imperial Chemical Industries Limited Patent: US4147793 A1, 1979 ;
  • Route3
    • null|null
      126961-65-7
    • ~82%
    • 1-(4-Chlorophenyl)-2-(1h-1,2,4-triazol-1-yl)ethan-1-one|CS-0268164
      58905-19-4

    References

    • Narayanan; Chapman; Upadhyaya; Bauer Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 5 p. 1405 - 1412

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   47.78
  • LogP   1.8144
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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