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CS-W001157 4
Total: USD 88.00

4-Methoxy-2-(trifluoromethyl)benzoic acid

  • CAS No. 127817-85-0

  • Cat. No. CS-W014255
  • Purity≥98%
  • MDL No.MFCD01091013

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

4-Methoxy-2-(trifluoromethyl)benzoic acid|CS-W014255

Structure of 127817-85-0

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General Information

  • CAS No. 127817-85-0
  • Cat. No. CS-W014255
  • Purity ≥98%
  • MDL No. MFCD01091013
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₃
  • Molecular Weight 220.15
  • Synonym(s) 4-Methoxy-2-trifluormethylbenzoic acid
  • SMILES COC1=CC(=C(C=C1)C(O)=O)C(F)(F)F

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      1-Bromo-4-methoxy-2-(trifluoromethyl)benzene|CS-W012583
      400-72-6
    • ~%
    • In-stock
      4-Methoxy-2-(trifluoromethyl)benzoic acid|CS-W014255
      127817-85-0

    References

    • US5183934 A1, ;
  • Route2
    • null|null
      124-38-9
    • In-stock
      1-Methoxy-3-(trifluoromethyl)benzene|CS-0085462
      454-90-0
    • ~%
    • In-stock
      4-Methoxy-2-(trifluoromethyl)benzoic acid|CS-W014255
      127817-85-0

    References

    • Archiv der Pharmazie, , vol. 323, # 2 p. 73 - 78

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   2.4122
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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