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CS-W001157 4
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3-Methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

  • CAS No. 21487-48-9

  • Cat. No. CS-0309194
  • Purity95+%
  • MDL No.MFCD02705915

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

3-Methyl-1-phenyl-1H-pyrazole-4-carbaldehyde|CS-0309194

Structure of 21487-48-9

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General Information

  • CAS No. 21487-48-9
  • Cat. No. CS-0309194
  • Purity 95+%
  • MDL No. MFCD02705915
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O
  • Molecular Weight 186.21
  • Synonym(s) 3-methyl-1-phenylpyrazole-4-carbaldehyde
  • SMILES CC1=NN(C=C1C=O)C2=CC=CC=C2

Synthesis

  • Route1

    References

    • Echevarria, Aurea; Elguero, Jose; Meutermans, Wim Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 4 p. 957 - 960
  • Route2
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      68-12-2
    • Edaravone solution|CS-1692864
      89-25-8
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    • 3-Methyl-1-phenyl-1H-pyrazole-4-carbaldehyde|CS-0309194
      21487-48-9

    References

    • Ouyang, Guiping; Chen, Zhuo; Cai, Xue-Jian; Song, Bao-An; Bhadury, Pinaki S.; Yang, Song; Jin, Lin-Hong; Xue, Wei; Hu, De-Yu; Zeng, Song Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 22 p. 9699 - 9707

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   1.99322
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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