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CS-W001157 4
Total: USD 88.00

2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid

  • CAS No. 289686-70-0

  • Cat. No. CS-0099348
  • Purity≥98%
  • MDL No.MFCD09032572

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

2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid|CS-0099348

Structure of 289686-70-0

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General Information

  • CAS No. 289686-70-0
  • Cat. No. CS-0099348
  • Purity ≥98%
  • MDL No. MFCD09032572
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀F₆O₂
  • Molecular Weight None
  • Synonym(s) benzeneacetic acid, α,α-dimethyl-3,5-bis(trifluoromethyl)-
  • SMILES CC(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)(C(O)=O)C

Description

It is used as pharmaceutical intermediate.

Synthesis

  • Route1
    • null|null
      334477-48-4
    • ~98%
    • In-stock
      2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid|CS-0099348
      289686-70-0

    References

    • Castro Pineiro, Jose Luis; Dinnell, Kevin; Elliott, Jason Matthew; Hollingworth, Gregory John; Shaw, Duncan Edward; Swain, Christopher John Patent: US2003/236250 A1, 2003 ; Location in patent: Page 18 ;
  • Route2
    • null|null
      201230-82-2
    • null|null
      67570-38-1
    • ~97%
    • In-stock
      2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid|CS-0099348
      289686-70-0

    References

    • Hoffmann-Emery, Fabienne; Hilpert, Hans; Scalone, Michelangelo; Waldmeier, Pius Journal of Organic Chemistry, 2006 , vol. 71, # 5 p. 2000 - 2008
  • Route3

    References

    • Hoffmann-Emery, Fabienne; Hilpert, Hans; Scalone, Michelangelo; Waldmeier, Pius Journal of Organic Chemistry, 2006 , vol. 71, # 5 p. 2000 - 2008

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   37.3
  • LogP   4.0864
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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