Description

3-(Trifluoromethyl)Isoxazole-4-Carboxylic Acid is a high-value fluorinated heterocyclic building block essential for modern synthetic chemistry. This compound is prized for its unique chemical structure, which combines a reactive carboxylic acid group with a trifluoromethyl-substituted isoxazole ring, enabling the introduction of both bioisosteric fluorine and heterocyclic motifs into target molecules. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients, where it serves as a critical intermediate in medicinal chemistry and crop protection programs.

Application

• Pharmaceutical Intermediate: A key building block for the synthesis of novel drug candidates, particularly in medicinal chemistry programs targeting central nervous system (CNS) disorders, anti-infectives, and metabolic diseases.
• Agrochemical Synthesis: Used in the research and development of next-generation herbicides, fungicides, and insecticides, where the trifluoromethyl group enhances biological activity and environmental stability.
• Material Science Research: Employed in the development of advanced materials, such as liquid crystals, polymers, and organic electronic components, due to its unique electronic properties.
• Chemical Biology & Proteomics: Serves as a versatile scaffold or linker for creating chemical probes and activity-based protein profiling (ABPP) agents to study biological systems.
• Custom Synthesis & Contract Manufacturing: A critical starting material for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) producing complex molecules for clients.
• Academic & Industrial R&D: Fundamental research reagent in universities and corporate labs for exploring new synthetic methodologies and heterocyclic chemistry.

Basic Information

Product Name	3-(Trifluoromethyl)Isoxazole-4-Carboxylic Acid
CAS No.	1076245-98-1
Molecular Formula	C5H2F3NO3
Molecular Weight	181.07 g/mol
Synonyms	3-(Trifluoromethyl)-1,2-oxazole-4-carboxylic acid; 3-(Trifluoromethyl)-4-carboxyisoxazole; 4-Isoxazolecarboxylic acid, 3-(trifluoromethyl)-; 3-Trifluoromethylisoxazole-4-carboxylic acid; TFMI-CA; 1076245-98-1 (CAS); 3-Trifluoromethyl-4-carboxyisoxazole
EINECS	Contact for details

Quality Control

Our 3-(Trifluoromethyl)Isoxazole-4-Carboxylic Acid is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity, NMR and IR for structural confirmation, and KF for moisture content, to ensure it meets the high standards required for advanced R&D and scale-up activities. Certificates of Analysis (COA) with detailed chromatograms and spectral data are provided with every shipment. We support compliance with relevant guidelines for use in regulated environments.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its acidic nature, ensure the container is compatible and stored separately from strong bases and oxidizing agents. Keep the container tightly sealed when not in use to maintain product integrity.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
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.