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CS-W001157 4
Total: USD 88.00

methyl 4-(trifluoromethyl)nicotinate

  • CAS No. 175204-82-7

  • Cat. No. CS-0061858
  • Purity≥95%
  • MDL No.None

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

methyl 4-(trifluoromethyl)nicotinate|CS-0061858

Structure of 175204-82-7

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General Information

  • CAS No. 175204-82-7
  • Cat. No. CS-0061858
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₂
  • Molecular Weight 205.13
  • Synonym(s) methyl 4-trifluoromethylpyridine-3-carboxylate
  • SMILES COC(=O)C1=CN=CC=C1C(F)(F)F

Synthesis

  • Route1
    • In-stock
      4-(Trifluoromethyl)nicotinic acid|CS-W019964
      158063-66-2
    • null|null
      74-88-4
    • ~56%
    • In-stock
      methyl 4-(trifluoromethyl)nicotinate|CS-0061858
      175204-82-7

    References

    • Takahashi, Satoru; Ueno, Ryohei; Yamaji, Yoshihiro; Fujinami, Makoto Patent: US2005/256004 A1, 2005 ; Location in patent: Page/Page column 34 ;
  • Route2

    References

    • BAYER PHARMACEUTICALS CORPORATION Patent: WO2003/72561 A1, 2003 ; Location in patent: Page/Page column 16-17 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   1.887
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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