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CS-W001157 4
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3-(4-Fluorophenyl)-5-methyl-1h-pyrazole

  • CAS No. 475982-42-4

  • Cat. No. CS-0236680
  • Molecule weight176.19
  • Purity≥98%
  • MDL No.None

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

3-(4-Fluorophenyl)-5-methyl-1h-pyrazole|CS-0236680

Structure of 475982-42-4

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General Information

  • CAS No. 475982-42-4
  • Cat. No. CS-0236680
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉FN₂
  • Molecular Weight 176.19
  • Synonym(s) 5-(4-Fluorophenyl)-3-methyl-1H-pyrazole
  • SMILES CC1=CC(C2=CC=C(F)C=C2)=NN1

Synthesis

  • Route1
    • null|null
      65300-29-0
    • ~96%
    • 3-(4-Fluorophenyl)-5-methyl-1h-pyrazole|CS-0236680
      475982-42-4

    References

    • Wen, Jun; Fu, Yun; Zhang, Ruo-Yi; Zhang, Ji; Chen, Shan-Yong; Yu, Xiao-Qi Tetrahedron, 2011 , vol. 67, # 49 p. 9618 - 9621
  • Route2
    • p-Fluorobenzenecarboxaldehyde Atorvastatin calcium|CS-0214005
      459-57-4
    • ~%
    • 3-(4-Fluorophenyl)-5-methyl-1h-pyrazole|CS-0236680
      475982-42-4

    References

    • Wen, Jun; Fu, Yun; Zhang, Ruo-Yi; Zhang, Ji; Chen, Shan-Yong; Yu, Xiao-Qi Tetrahedron, 2011 , vol. 67, # 49 p. 9618 - 9621
  • Route3

    References

    • Schranck, Johannes; Tlili, Anis; Alsabeh, Pamela G.; Neumann, Helfried; Stradiotto, Mark; Beller, Matthias Chemistry - A European Journal, 2013 , vol. 19, # 38 p. 12624 - 12628

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   2.52422
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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