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CS-W001157 4
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Methyl 4-iodo-1H-pyrazole-3-carboxylate

  • CAS No. 136944-79-1

  • Cat. No. CS-0035752
  • Purity≥97%
  • MDL No.None

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

Methyl 4-iodo-1H-pyrazole-3-carboxylate|CS-0035752

Structure of 136944-79-1

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General Information

  • CAS No. 136944-79-1
  • Cat. No. CS-0035752
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅IN₂O₂
  • Molecular Weight 252.01
  • Synonym(s) 1H-Pyrazole-3-carboxylic acid, 4-iodo-, methyl ester
  • SMILES COC(=O)C1=NNC=C1I

Synthesis

  • Route1

    References

    • Moriyama, Kei; Suzuki, Tetsuya; Negishi, Kazuo; Graci, Jason D.; Thompson, Corinne N.; Cameron, Craig E.; Watanabe, Masahiko Journal of Medicinal Chemistry, 2008 , vol. 51, # 1 p. 159 - 166

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   54.98
  • LogP   0.8009
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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