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CS-W001157 4
Total: USD 88.00

3-(4-Fluorophenyl)-1-methyl-1h-pyrazole-4-carbaldehyde

  • CAS No. 689250-53-1

  • Cat. No. CS-0242465
  • Molecule weight204.20
  • Purity98+%
  • MDL No.None

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

3-(4-Fluorophenyl)-1-methyl-1h-pyrazole-4-carbaldehyde|CS-0242465

Structure of 689250-53-1

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General Information

  • CAS No. 689250-53-1
  • Cat. No. CS-0242465
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉FN₂O
  • Molecular Weight 204.20
  • Synonym(s) 3-(4-fluorophenyl)-1-methylpyrazole-4-carbaldehyde
  • SMILES CN1C=C(C=O)C(=N1)C2=CC=C(C=C2)F

Synthesis

  • Route1
    • null|null
      689250-51-9
    • null|null
      1176628-01-5
    • ~%
    • 5-(4-Fluorophenyl)-1-methyl-1H-pyrazole-4-carbaldehyde|CS-1196863
      689250-52-0
    • 3-(4-Fluorophenyl)-1-methyl-1h-pyrazole-4-carbaldehyde|CS-0242465
      689250-53-1

    References

    • TAKEDA CHEMICAL INDUSTRIES, LTD. Patent: WO2004/39365 A1, 2004 ; Location in patent: Page/Page column 111-112 ; WO 2004/039365 A1
  • Route2
    • In-stock
      3-(4-Fluorophenyl)-1H-pyrazole-4-carbaldehyde|CS-W015899
      306936-57-2
    • null|null
      74-88-4
    • ~%
    • 5-(4-Fluorophenyl)-1-methyl-1H-pyrazole-4-carbaldehyde|CS-1196863
      689250-52-0
    • 3-(4-Fluorophenyl)-1-methyl-1h-pyrazole-4-carbaldehyde|CS-0242465
      689250-53-1

    References

    • Zheng, Weihong; Degterev, Alexei; Hsu, Emily; Yuan, Junying; Yuan, Chengye Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 18 p. 4932 - 4935

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-H332-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   34.89
  • LogP   2.0387
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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