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CS-W001157 4
Total: USD 88.00

6-Methylpyridin-3-yl trifluoromethanesulfonate

  • CAS No. 111770-91-3

  • Cat. No. CS-0451192
  • Purity≥98%
  • MDL No.None

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

6-Methylpyridin-3-yl trifluoromethanesulfonate|CS-0451192

Structure of 111770-91-3

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General Information

  • CAS No. 111770-91-3
  • Cat. No. CS-0451192
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₃NO₃S
  • Molecular Weight 241.19
  • Synonym(s) (2-methylpyridine-5-yl)trifluoromethanesulfonate
  • SMILES CC1=NC=C(C=C1)OS(=O)(=O)C(F)(F)F

Synthesis

  • Route1
    • In-stock
      5-Hydroxy-2-methylpyridine|CS-W004681
      1121-78-4
    • null|null
      358-23-6
    • ~97%
    • In-stock
      6-Methylpyridin-3-yl trifluoromethanesulfonate|CS-0451192
      111770-91-3

    References

    • WYETH; CURIS, INC. Patent: WO2008/57469 A1, 2008 ; Location in patent: Page/Page column 238-239 ;
  • Route2
    • In-stock
      5-Hydroxy-2-methylpyridine|CS-W004681
      1121-78-4
    • null|null
      1025373-45-8
    • ~95%
    • In-stock
      6-Methylpyridin-3-yl trifluoromethanesulfonate|CS-0451192
      111770-91-3

    References

    • SHIONOGI and CO., LTD. Patent: EP1422218 A1, 2004 ; Location in patent: Page 157; 158; 225 ;
  • Route3

    References

    • Tilley, Jefferson W.; Zawoiski, Sonja Journal of Organic Chemistry, 1988 , vol. 53, # 2 p. 386 - 390

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H227-H301-H315-H319-H335
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P370+P378-P403-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   56.26
  • LogP   1.61842
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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