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1-(3-Chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one

  • CAS No. 90-31-3

  • Cat. No. CS-0121865
  • Molecule weight208.64
  • Purity≥98%
  • MDL No.MFCD00020750

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

1-(3-Chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one|CS-0121865

Structure of 90-31-3

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General Information

  • CAS No. 90-31-3
  • Cat. No. CS-0121865
  • Purity ≥98%
  • MDL No. MFCD00020750
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉ClN₂O
  • Molecular Weight 208.64
  • Synonym(s) 2-(3-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
  • SMILES O=C1CC(C)=NN1C2=CC=CC(Cl)=C2

Synthesis

  • Route1

    References

    • Tetrahedron Letters, , vol. 53, # 49 p. 6650 - 6653
  • Route2

    References

    • Journal of Heterocyclic Chemistry, , vol. 49, # 5 p. 1169 - 1178

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H317-H372-H411
Precautionary Statements : P260-P261-P264-P270-P272-P273-P280-P302+P352-P362+P364-P391-P501

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Computational Chemistry Data

  • TPSA   32.67
  • LogP   2.4526
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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