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2-(4-Bromophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

  • CAS No. 35496-21-0

  • Cat. No. CS-0332638
  • Purity≥98%
  • MDL No.None

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

2-(4-Bromophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one|CS-0332638

Structure of 35496-21-0

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General Information

  • CAS No. 35496-21-0
  • Cat. No. CS-0332638
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉BrN₂O
  • Molecular Weight 253.10
  • Synonym(s) 2-(4-bromophenyl)-5-methyl-1H-pyrazol-3-one
  • SMILES CC1=CC(=O)N(C2=CC=C(C=C2)Br)N1

Synthesis

  • Route1

    References

    • Chen, Bang-chi; Huang, Xian; Ma, Sheng-ming Synthetic Communications, 1987 , vol. 17, # 12 p. 1519 - 1522
  • Route2

    References

    • Michaelis; Schwabe Chemische Berichte, 1900 , vol. 33, p. 2608

Safety Information

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GHS Pictogram : N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   37.79
  • LogP   2.23652
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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