Description

5-[2-(Trifluoromethyl)Phenyl]-3-Isoxazolecarboxylic Acid is a high-value trifluoromethylated heterocyclic building block. This compound matters for its role as a critical intermediate in the synthesis of advanced pharmaceuticals and agrochemicals, where the trifluoromethyl group is prized for enhancing metabolic stability and lipophilicity. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries for creating novel active ingredients.

Application

• Pharmaceutical Intermediate: Key synthon for the development of active pharmaceutical ingredients (APIs), particularly in central nervous system (CNS) and anti-inflammatory drug candidates.
• Agrochemical Synthesis: Building block for novel herbicides, fungicides, and insecticides, leveraging the bioactivity of the isoxazole and trifluoromethylphenyl motifs.
• Material Science Research: Used in the development of advanced organic materials, including liquid crystals and organic semiconductors.
• Chemical Biology Probes: Serves as a core structure for designing enzyme inhibitors and molecular probes in biochemical research.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for custom synthesis projects.

Basic Information

Product Name	5-[2-(Trifluoromethyl)Phenyl]-3-Isoxazolecarboxylic Acid
CAS No.	668971-05-9
Molecular Formula	C11H6F3NO3
Molecular Weight	257.17 g/mol
Synonyms	3-Isoxazolecarboxylic acid, 5-[2-(trifluoromethyl)phenyl]-; 5-(2-(Trifluoromethyl)phenyl)isoxazole-3-carboxylic acid; 5-(α,α,α-Trifluoro-o-tolyl)-3-isoxazolecarboxylic acid; 2-(Trifluoromethyl)phenyl isoxazole carboxylic acid; 668971-05-9; 5-(2-Trifluoromethylphenyl)-1,2-oxazole-3-carboxylic acid
EINECS	Contact for details

Quality Control

Our 5-[2-(Trifluoromethyl)Phenyl]-3-Isoxazolecarboxylic Acid is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure it meets the high standards required for advanced synthetic applications. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). This compound is compatible with strong acids and organic solvents but should be kept away from strong bases and oxidizing agents. For long-term storage, consider under an inert atmosphere to maintain optimal purity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.