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CS-W001157 4
Total: USD 88.00

4-Isopropoxy-3-trifluoromethylbenzoic acid

  • CAS No. 213598-16-4

  • Cat. No. CS-D0354
  • Purity≥98%
  • MDL No.MFCD12913405

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

4-Isopropoxy-3-trifluoromethylbenzoic acid|CS-D0354

Structure of 213598-16-4

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General Information

  • CAS No. 213598-16-4
  • Cat. No. CS-D0354
  • Purity ≥98%
  • MDL No. MFCD12913405
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁F₃O₃
  • Molecular Weight 248.20
  • Synonym(s) 4-Isopropoxy-3-(trifluoromethyl)benzoic acid
  • SMILES O=C(O)C1=CC=C(OC(C)C)C(C(F)(F)F)=C1

Synthesis

  • Route1
    • null|null
      1035217-13-0
    • ~98%
    • In-stock
      4-Isopropoxy-3-trifluoromethylbenzoic acid|CS-D0354
      213598-16-4

    References

    • ARENA PHARMACEUTICALS, INC.; JONES, Robert M.; BUZARD, Daniel J.; GHARBAOUI, Tawfik; JOHNSON, Benjamin R.; KASEM, Michelle; SCHRADER, Thomas O.; STIRN, Scott Patent: WO2011/109471 A1, 2011 ; Location in patent: Page/Page column 111 ; WO 2011/109471 A1
  • Route2
    • null|null
      1034188-33-4
    • ~%
    • In-stock
      4-Isopropoxy-3-trifluoromethylbenzoic acid|CS-D0354
      213598-16-4

    References

    • GLAXO GROUP LIMITED Patent: WO2008/128951 A1, 2008 ; Location in patent: Page/Page column 57-58 ; WO 2008/128951 A1
  • Route3
    • In-stock
      4-Fluoro-3-(trifluoromethyl)benzoic acid|CS-WAA0327
      67515-55-3
    • null|null
      67-63-0
    • ~%
    • In-stock
      4-Isopropoxy-3-trifluoromethylbenzoic acid|CS-D0354
      213598-16-4

    References

    • Asahi Kasei Pharma Corporation Patent: US2008/200535 A1, 2008 ; Location in patent: Page/Page column 158 ; US 20080200535 A1

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   46.53
  • LogP   3.1908
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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