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CS-W001157 4
Total: USD 88.00

2-Methoxy-4-(trifluoromethyl)benzoic acid

  • CAS No. 448-36-2

  • Cat. No. CS-0094403
  • Purity≥98%
  • MDL No.MFCD04115976

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

2-Methoxy-4-(trifluoromethyl)benzoic acid|CS-0094403

Structure of 448-36-2

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General Information

  • CAS No. 448-36-2
  • Cat. No. CS-0094403
  • Purity ≥98%
  • MDL No. MFCD04115976
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₃
  • Molecular Weight 220.15
  • Synonym(s) 2-Carboxy-5-(trifluoromethyl)anisole, 4-Carboxy-3-methoxybenzotrifluoride, 4-(Trifluoromethyl)-o-anisic acid
  • SMILES O=C(O)C1=CC=C(C(F)(F)F)C=C1OC

Synthesis

  • Route1

    References

    • Eisai Co., Ltd. Patent: EP1216980 A1, 2002 ; EP 1216980 A1
  • Route2
    • 2-Methoxy-4-trifluoromethyl methylbenzoate|CS-0749735
      286441-66-5
    • ~%
    • In-stock
      2-Methoxy-4-(trifluoromethyl)benzoic acid|CS-0094403
      448-36-2

    References

    • Lynch, John K.; Freeman, Jennifer C.; Judd, Andrew S.; Iyengar, Rajesh; Mulhern, Mathew; Zhao, Gang; Napier, James J.; Wodka, Dariusz; Brodjian, Sevan; Dayton, Brian D.; Falls, Doug; Ogiela, Christopher; Reilly, Regina M.; Campbell, Thomas J.; Polakowski, James S.; Hernandez, Lisa; Marsh, Kennan C.; Shapiro, Robin; Knourek-Segel, Victoria; Droz, Brian; Bush, Eugene; Brune, Michael; Preusser, Lee C.; Fryer, Ryan M.; Reinhart, Glenn A.; Houseman, Kathryn; Diaz, Gilbert; Mikhail, Ann; Limberis, James T.; Sham, Hing L.; Collins, Christine A.; Kym, Philip R. Journal of Medicinal Chemistry, 2006 , vol. 49, # 22 p. 6569 - 6584
  • Route3

    References

    • McBee; Rapkin Journal of the American Chemical Society, 1951 , vol. 73, p. 2375

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.4122
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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