Description

3,5-Difluorobenzotrifluoride is a high-purity fluorinated aromatic building block, also known by its CAS number 401-85-4. This compound is valued for its unique combination of fluorine atoms and a trifluoromethyl group, which imparts enhanced lipophilicity, metabolic stability, and electronic properties to target molecules. It is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of advanced intermediates, active ingredients, and functional materials.

Application

• Pharmaceutical Intermediate: A key synthon for constructing bioactive molecules, particularly in the development of active pharmaceutical ingredients (APIs) with improved pharmacokinetic profiles.
• Agrochemical Synthesis: Used in the manufacture of advanced herbicides, fungicides, and insecticides where the difluoro and trifluoromethyl motifs enhance biological activity and environmental stability.
• Liquid Crystal & OLED Materials: Serves as a precursor for fluorine-containing compounds used in electronic displays and organic light-emitting diodes due to its influence on electronic properties.
• Polymer & Resin Modification: Incorporated as a monomer or modifier to create specialty polymers with enhanced chemical resistance, thermal stability, and low surface energy.
• Cross-Coupling Reactions: An excellent substrate for Suzuki, Stille, and other palladium-catalyzed cross-coupling reactions to create complex biaryl structures.
• Fluorine Chemistry Research: A valuable reagent in academic and industrial R&D for exploring new fluorination methodologies and structure-activity relationships.

Basic Information

Product Name	3,5-Difluorobenzotrifluoride
CAS No.	401-85-4
Molecular Formula	C7H3F5
Molecular Weight	198.09 g/mol
Synonyms	1,3-Difluoro-5-(trifluoromethyl)benzene; 3,5-Difluoro-α,α,α-trifluorotoluene; 3,5-Difluorophenyltrifluoromethane; 3,5-Bis(fluorophenyl)trifluoromethane; (3,5-Difluorophenyl)trifluoromethane; α,α,α-Trifluoro-3,5-difluorotoluene; Benzene, 1,3-difluoro-5-(trifluoromethyl)-
EINECS	206-928-5

Quality Control

Our 3,5-Difluorobenzotrifluoride is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing including GC, HPLC, NMR, and Karl Fischer titration to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided and we support custom purity requirements for specific applications, including pharmaceutical development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area away from incompatible materials such as strong bases and reducing agents. Recommended storage temperature is 2-25°C. The container should be kept tightly sealed to prevent moisture absorption and volatilization.

Specification

Item	Specification
Appearance	Colorless to pale yellow clear liquid
Identification (IR)	Conforms to structure
Assay (GC)	≥ 98.0%
Water Content (KF)	≤ 0.1%
Related Substances (GC)	Total impurities ≤ 2.0%
Density (20°C)	~1.45 g/mL
Refractive Index (n20D)	~1.405

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