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Ethyl 4-fluoro-1H-pyrazole-3-carboxylate

  • CAS No. 221300-34-1

  • Cat. No. CS-0468555
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-fluoro-1H-pyrazole-3-carboxylate|CS-0468555

Structure of 221300-34-1

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General Information

  • CAS No. 221300-34-1
  • Cat. No. CS-0468555
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇FN₂O₂
  • Molecular Weight 158.13
  • Synonym(s) 4-fluoropyrazole-3-carboxylic acid ethyl ester
  • SMILES O=C(C1=NNC=C1F)OCC

Synthesis

  • Route1

    References

    • Storer, Richard; Ashton, Claire J.; Baxter, Anthony D.; Hann, Michael M.; Marr, Clara L. P.; Mason, Andrew M.; Mo, Chi-Leung; Myers, Peter L.; Noble, Stewart A.; Penn, Charles R.; Weir, Niall G.; Woods, Jacqueline M.; Coe, Paul L. Nucleosides and Nucleotides, 1999 , vol. 18, # 2 p. 203 - 216
  • Route2
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      Ethyl 4-fluoro-1H-pyrazole-3-carboxylate|CS-0468555
      221300-34-1

    References

    • Storer, Richard; Ashton, Claire J.; Baxter, Anthony D.; Hann, Michael M.; Marr, Clara L. P.; Mason, Andrew M.; Mo, Chi-Leung; Myers, Peter L.; Noble, Stewart A.; Penn, Charles R.; Weir, Niall G.; Woods, Jacqueline M.; Coe, Paul L. Nucleosides and Nucleotides, 1999 , vol. 18, # 2 p. 203 - 216

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   54.98
  • LogP   0.7255
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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