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CS-W001157 4
Total: USD 88.00

2-(3-Oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetic acid

  • CAS No. 7196-94-3

  • Cat. No. CS-0100687
  • Molecule weight291.25
  • Purity≥97%
  • MDL No.None

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

2-(3-Oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetic acid|CS-0100687

Structure of 7196-94-3

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General Information

  • CAS No. 7196-94-3
  • Cat. No. CS-0100687
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈F₃NO₃S
  • Molecular Weight 291.25
  • Synonym(s) [3-Oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-YL]acetic acid
  • SMILES O=C(O)CC1SC2=CC=C(C(F)(F)F)C=C2NC1=O

Synthesis

  • Route1
    • null|null
      7196-89-6
    • ~%
    • 2-(3-Oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetic acid|CS-0100687
      7196-94-3

    References

    • Bourdais,J. Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1966 , vol. 262, p. 1701 - 1704
  • Route2
    • null|null
      5542-61-0
    • ~%
    • 2-(3-Oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetic acid|CS-0100687
      7196-94-3

    References

    • Bourdais,J. Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques, 1966 , vol. 262, p. 1701 - 1704

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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   2.5929
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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