Tel:

Email:

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

3-Iodo-4-(trifluoromethyl)benzoic acid

  • CAS No. 1034690-61-3

  • Cat. No. CS-0044864
  • Purity≥98%
  • MDL No.MFCD18398157

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

3-Iodo-4-(trifluoromethyl)benzoic acid|CS-0044864

Structure of 1034690-61-3

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

* Please select Quantity before adding items.

General Information

  • CAS No. 1034690-61-3
  • Cat. No. CS-0044864
  • Purity ≥98%
  • MDL No. MFCD18398157
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃IO₂
  • Molecular Weight 316.02
  • Synonym(s) 4-Carboxy-2-iodobenzotrifluoride, 3-Iodo-alpha,alpha,alpha-trifluoro-p-toluic acid
  • SMILES O=C(O)C1=CC=C(C(F)(F)F)C(I)=C1

Description

3-Iodo-4-(trifluoromethyl)benzoic acid features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the iodine substituent enables facile cross-coupling reactions. This combination delivers a robust platform for constructing complex bioactive architectures in medicinal chemistry and materials science.

Application

3-Iodo-4-(trifluoromethyl)benzoic acid serves as a versatile building block for constructing biologically active heterocycles and pharmaceutical scaffolds. Its iodine handle enables reliable Suzuki, Stille, and Sonogashira couplings, while the trifluoromethyl group enhances metabolic stability and lipophilicity. The carboxylic acid functionality facilitates direct derivatization or salt formation, supporting purification and solubility control. This compound exhibits excellent bench stability and functional group tolerance, making it well-suited for iterative synthesis in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Ameriks, Michael K.; Axe, Frank U.; Edwards, James P.; Grice, Cheryl A.; Cai, Hui; Gleason, Elizabeth Ann; Meduna, Steven P.; Tays, Kevin L.; Wiener, John J. M.; Wickboldt, Alvah T. Patent:   US2008/200454 A1, 2008 ; Location in patent: Page/Page column 48 ;US 20080200454 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 : H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-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   37.3
  • LogP   3.0082
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 3-Iodo-4-(trifluoromethyl)benzoic acid sigma3-Iodo-4-(trifluoromethyl)benzoic acid manufacturer3-Iodo-4-(trifluoromethyl)benzoic acid price3-Iodo-4-(trifluoromethyl)benzoic acid structure3-Iodo-4-(trifluoromethyl)benzoic acid SDSbuy 3-Iodo-4-(trifluoromethyl)benzoic acid3-Iodo-4-(trifluoromethyl)benzoic acid supplier3-Iodo-4-(trifluoromethyl)benzoic acid uses3-Iodo-4-(trifluoromethyl)benzoic acid molecular weightprice of 3-Iodo-4-(trifluoromethyl)benzoic acid3-Iodo-4-(trifluoromethyl)benzoic acid chemical name formula of 3-Iodo-4-(trifluoromethyl)benzoic acid
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