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2-(2-Chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

  • CAS No. 20629-90-7

  • Cat. No. CS-0328349
  • Purity98+%
  • MDL No.None

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

2-(2-Chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one|CS-0328349

Structure of 20629-90-7

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General Information

  • CAS No. 20629-90-7
  • Cat. No. CS-0328349
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉ClN₂O
  • Molecular Weight 208.64
  • Synonym(s) LABOTEST-BB LT01289017
  • SMILES CC1=CC(=O)N(C2=CC=CC=C2Cl)N1

Synthesis

  • Route1

    References

    • WO2006/71730 A1, ; Page/Page column 47; 48 ; WO 2006/071730 A1
  • Route2

    References

    • Roczniki Chemii, vol. 8, p. 325 Chem. Zentralbl., , vol. 99, # II p. 1883
  • Route3
    • (2-Chlorophenyl)hydrazine|CS-0447332
      10449-07-7
    • ~%
    • 2-(2-Chlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one|CS-0328349
      20629-90-7

    References

    • Justus Liebigs Annalen der Chemie, , vol. 471, p. 136

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   37.79
  • LogP   2.12742
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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