Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

Methyl 4-fluoro-3-(trifluoromethyl)benzoate

  • CAS No. 176694-36-3

  • Cat. No. CS-W022853
  • Purity≥98%
  • MDL No.MFCD06203709

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

Methyl 4-fluoro-3-(trifluoromethyl)benzoate|CS-W022853

Structure of 176694-36-3

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 176694-36-3
  • Cat. No. CS-W022853
  • Purity ≥98%
  • MDL No. MFCD06203709
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₄O₂
  • Molecular Weight 222.14
  • Synonym(s) Benzoic acid, 4-fluoro-3-(trifluoroMethyl)-, Methyl ester
  • SMILES FC1=C(C=C(C(=O)OC)C=C1)C(F)(F)F

Description

Methyl 4-fluoro-3-(trifluoromethyl)benzoate features a trifluoromethyl group positioned ortho to a fluorinated aromatic ring, delivering enhanced electron-withdrawing character and improved metabolic stability. This robust scaffold integrates readily into synthetic sequences requiring halogenated aromatics with tunable polarity.

Application

Methyl 4-fluoro-3-(trifluoromethyl)benzoate serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated aromatic scaffolds prevalent in pharmaceuticals. Its trifluoromethyl and methyl ester groups offer orthogonal reactivity for late-stage functionalization, while the meta-fluoro substituent facilitates directed metalation or nucleophilic substitution. The compound exhibits excellent bench stability and ease of purification, making it well-suited for multi-step synthesis and process-scale applications.

Synthesis

  • Route1
    • In-stock
      4-Fluoro-3-(trifluoromethyl)benzoic acid|CS-WAA0327
      67515-55-3
    • null|null
      18107-18-1
    • ~%
    • In-stock
      Methyl 4-fluoro-3-(trifluoromethyl)benzoate|CS-W022853
      176694-36-3

    References

    • WO2008/16692 A2, ; Page/Page column 117-118 ;
  • Route2

    References

    • US5708034 A1, ;
  • Route3
    • null|null
      67-56-1
    • In-stock
      4-Fluoro-3-(trifluoromethyl)benzoic acid|CS-WAA0327
      67515-55-3
    • ~%
    • In-stock
      Methyl 4-fluoro-3-(trifluoromethyl)benzoate|CS-W022853
      176694-36-3

    References

    • WO2006/50830 A1, ; Page/Page column 47 ;

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

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.6311
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 176694-36-3 sigma176694-36-3 manufacturer176694-36-3 price176694-36-3 structure176694-36-3 SDSbuy 176694-36-3176694-36-3 supplier176694-36-3 uses176694-36-3 molecular weightprice of 176694-36-3176694-36-3 chemical name formula of 176694-36-3
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label