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CS-W001157 4
Total: USD 88.00

2-Hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile

  • CAS No. 654-49-9

  • Cat. No. CS-0165874
  • Molecule weight202.13
  • Purity≥98%
  • MDL No.MFCD01314908

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

2-Hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile|CS-0165874

Structure of 654-49-9

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General Information

  • CAS No. 654-49-9
  • Cat. No. CS-0165874
  • Purity ≥98%
  • MDL No. MFCD01314908
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃N₂O
  • Molecular Weight 202.13
  • Synonym(s) None
  • SMILES N#CC1=C(C(F)(F)F)C=C(C)NC1=O

Synthesis

  • Route1
    • null|null
      367-57-7
    • null|null
      107-91-5
    • ~92%
    • In-stock
      2-Hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile|CS-0165874
      654-49-9

    References

    • Gueden-Silber, Tuba; Klein, Kathrin; Seitz, Michael Dalton Transactions, 2013 , vol. 42, # 38 p. 13882 - 13888
  • Route2
    • null|null
      367-57-7
    • null|null
      109-77-3
    • ~69%
    • In-stock
      2-Hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile|CS-0165874
      654-49-9
    • null|null
      507476-77-9

    References

    • Journal of Fluorine Chemistry, , vol. 118, # 1-2 p. 73 - 79

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H372-H411
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   56.65
  • LogP   1.5738
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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