Description

5-[3-(Trifluoromethyl)Phenyl]Isoxazole is a high-purity, fluorinated heterocyclic building block of significant interest in advanced organic synthesis. This compound matters for its role as a key intermediate in the development of novel active pharmaceutical ingredients (APIs) and agrochemicals, where the trifluoromethylphenyl moiety imparts desirable metabolic stability and lipophilicity. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and material science industries seeking to incorporate this specific fluorinated isoxazole scaffold into their target molecules. CAS No. 387824-53-5.

Application

• Pharmaceutical Intermediate: A crucial building block for the synthesis of drug candidates, particularly in areas targeting central nervous system (CNS) disorders, inflammation, and oncology.
• Agrochemical Research: Used in the development of new-generation herbicides, fungicides, and insecticides, leveraging the bioactivity of the isoxazole ring.
• Material Science Precursor: Serves as a monomer or functional additive in the synthesis of specialty polymers and advanced organic electronic materials.
• Chemical Biology Probe: Employed in medicinal chemistry for structure-activity relationship (SAR) studies and as a tag in probe molecule development.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for use in client-specific synthetic routes.
• Academic & Institutional Research: Used in university and government labs for fundamental studies on fluorinated heterocycles and their reactivity.

Basic Information

Product Name	5-[3-(Trifluoromethyl)Phenyl]Isoxazole
CAS No.	387824-53-5
Molecular Formula	C10H6F3NO
Molecular Weight	213.16 g/mol
Synonyms	5-[3-(Trifluoromethyl)phenyl]-1,2-oxazole; 3-(Trifluoromethyl)phenyl isoxazole; 5-(3-Trifluoromethylphenyl)isoxazole; 5-(α,α,α-Trifluoro-m-tolyl)isoxazole; Isoxazole, 5-[3-(trifluoromethyl)phenyl]-; 387824-53-5; m-Trifluoromethylphenyl isoxazole
EINECS	Contact for details

Quality Control

Our 5-[3-(Trifluoromethyl)Phenyl]Isoxazole is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity and NMR for structural confirmation, to ensure it meets the high standards required for research and development. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to guarantee traceability and batch-to-batch consistency.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). Keep away from strong bases and fluorides. 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.