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Diethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonate

  • CAS No. 172527-71-8

  • Cat. No. CS-0315111
  • Molecule weight339.69
  • Purity95+%
  • MDL No.None

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

Diethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonate|CS-0315111

Structure of 172527-71-8

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General Information

  • CAS No. 172527-71-8
  • Cat. No. CS-0315111
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃ClF₃NO₄
  • Molecular Weight 339.69
  • Synonym(s) Diethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]malonate
  • SMILES CCOC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)OCC

Synthesis

  • Route1

    References

    • Lhermitte, Frederic; Coqueron, Pierre-Yves; Desbordes, Philippe; HImmler, Thomas Patent: US2008/86008 A1, 2008 ; Location in patent: Page/Page column 12 ;

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+H312+H332-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   65.49
  • LogP   2.9636
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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