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CS-W001157 4
Total: USD 88.00

3-Trifluoromethanesulfonylbenzoic acid

  • CAS No. 952-69-2

  • Cat. No. CS-0245131
  • Molecule weight254.18
  • Purity95+%
  • MDL No.None

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

3-Trifluoromethanesulfonylbenzoic acid|CS-0245131

Structure of 952-69-2

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General Information

  • CAS No. 952-69-2
  • Cat. No. CS-0245131
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₄S
  • Molecular Weight 254.18
  • Synonym(s) 3-(trifluoromethylsulfonyl)benzoic Acid
  • SMILES O=C(O)C1=CC=CC(S(=O)(C(F)(F)F)=O)=C1

Synthesis

  • Route1

    References

    • Yagupol'skii,L.M.; Gruz,B.E. J. Gen. Chem. USSR (Engl. Transl.), 1961 , vol. 31, p. 1315 - 1320,1219 - 1223
  • Route2

    References

    • Kondratenko, N. V.; Kolomeitsev, A. A.; Popov, V. I.; Il'chenko, A. Ya.; Korzhenevskaya, N. G.; et al. J. Gen. Chem. USSR (Engl. Transl.), 1983 , vol. 53, # 11 p. 2500 - 2505,2254 - 2258
  • Route3
    • Methyl 3-((trifluoromethyl)thio)benzoate|CS-0676731
      88489-59-2
    • ~%
    • 3-Trifluoromethanesulfonylbenzoic acid|CS-0245131
      952-69-2

    References

    • Kondratenko, N. V.; Kolomeitsev, A. A.; Popov, V. I.; Il'chenko, A. Ya.; Korzhenevskaya, N. G.; et al. J. Gen. Chem. USSR (Engl. Transl.), 1983 , vol. 53, # 11 p. 2500 - 2505,2254 - 2258

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   1.6783
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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