Description

6-(Trifluoromethyl)-2,1-Benzisoxazole-3-Carboxylic Acid is a high-value, multifunctional heterocyclic building block characterized by its benzisoxazole core and trifluoromethyl group. This compound matters for its role as a critical intermediate in the synthesis of advanced pharmaceuticals and agrochemicals, where its unique structure imparts desirable biological activity and metabolic stability. It is primarily needed by research and development chemists, process development scientists, and manufacturers in the pharmaceutical, agrochemical, and specialty chemical industries.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel active pharmaceutical ingredients (APIs), particularly in central nervous system (CNS) and anti-inflammatory drug candidates.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, leveraging the bioactivity of the benzisoxazole moiety.
• Material Science Research: Serves as a precursor for functional materials, including organic semiconductors and liquid crystals, due to its electron-deficient aromatic system.
• Chemical Biology Probe: Employed in medicinal chemistry for structure-activity relationship (SAR) studies and as a scaffold for designing enzyme inhibitors.
• Custom Synthesis & Contract Manufacturing: A vital building block for custom synthesis houses and CDMOs (Contract Development and Manufacturing Organizations) serving global clients.

Basic Information

Product Name	6-(Trifluoromethyl)-2,1-Benzisoxazole-3-Carboxylic Acid
CAS No.	1204298-47-4
Molecular Formula	C9H4F3NO3
Molecular Weight	231.13 g/mol
Synonyms	2,1-Benzisoxazole-3-carboxylic acid, 6-(trifluoromethyl)-; 6-(Trifluoromethyl)-1,2-benzisoxazole-3-carboxylic acid; 3-Carboxy-6-(trifluoromethyl)benzisoxazole; 6-Trifluoromethyl-2,1-benzisoxazole-3-carboxylic acid; 1204298-47-4; 6-Trifluoromethyl-1,2-benzisoxazole-3-carboxylic acid; 6-(Trifluoromethyl)benzo[d]isoxazole-3-carboxylic acid
EINECS	Contact for details

Quality Control

Our 6-(Trifluoromethyl)-2,1-Benzisoxazole-3-Carboxylic Acid is manufactured under strict quality management systems. We offer material suitable for research and commercial scale-up, with purity levels typically exceeding 97% (HPLC). Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles. Specifications can be tailored to meet the stringent requirements of cGMP, ICH Q7, and other relevant pharmaceutical or agrochemical guidelines upon request.

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). The compound may be hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if specified. Keep away from strong bases and oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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