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CS-W001157 4
Total: USD 88.00

Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate

  • CAS No. 720-01-4

  • Cat. No. CS-W019492
  • Molecule weight254.59
  • Purity≥98%
  • MDL No.MFCD00173897

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

Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate|CS-W019492

Structure of 720-01-4

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General Information

  • CAS No. 720-01-4
  • Cat. No. CS-W019492
  • Purity ≥98%
  • MDL No. MFCD00173897
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClF₃N₂O₂
  • Molecular Weight 254.59
  • Synonym(s) Ethyl-4-chlor-2-(trifluormethyl)pyrimidin-5-carboxylat
  • SMILES O=C(C1=CN=C(C(F)(F)F)N=C1Cl)OCC

Synthesis

  • Route1
    • Ethyl 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate|CS-0041701
      343-67-9
    • ~98%
    • In-stock
      Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate|CS-W019492
      720-01-4

    References

    • SmithKline Beecham p.l.c. Patent: US2004/167142 A1, 2004 ; Location in patent: Page/Page column 23 ;
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 10, # 15 p. 1645 - 1648

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-H312-H332
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.08
  • LogP   2.3255
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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