2,4-Difluorobenzotrifluoride (CAS# 64248-61-9), also known as 2,4-difluoro-1-(trifluoromethyl)benzene or DFBT, is a fluorinated aromatic compound with the molecular formula C₇H₃F₅ and a molecular weight of 182.09 g/mol. Its molecular structure consists of a benzene ring bearing two fluorine atoms at the 2- and 4-positions and a trifluoromethyl (–CF₃) group at the 1-position. This specific 2,4-substitution pattern—distinguishing it from five other regioisomeric difluorobenzotrifluorides with identical molecular formulas—confers unique electronic properties that directly influence nucleophilic aromatic substitution (SNAr) site selectivity, cross-coupling reactivity, and the physicochemical properties of downstream intermediates. The compound is commercially supplied as a clear, colorless liquid with a boiling point of 109.1±35.0°C (predicted) at 760 mmHg, a density of 1.386±0.06 g/cm³ (predicted), a flash point of 27.0±12.8°C, and a refractive index of 1.391. It is typically available at ≥98% purity (GC) with moisture content ≤0.5%, and should be stored at 2–8°C in a tightly sealed container protected from heat, flames, and strong oxidizers. The compound is classified under UN 1993 (Flammable liquid, n.o.s., Class 3, Packing Group III) with hazard codes Xi and R10 (Flammable). As a high-value fluorinated building block, 2,4-difluorobenzotrifluoride has emerged as an indispensable intermediate in modern medicinal chemistry, agrochemical development, and specialty fluorochemical synthesis. Based on its chemical characteristics and industrial significance, this article systematically analyzes the key properties, core application areas, global market structure, regulatory landscape, and future outlook of this strategically important organofluorine compound.
Core Application Fields and Demand
Market demand for 2,4-difluorobenzotrifluoride (CAS# 64248-61-9) is concentrated in three primary sectors: pharmaceutical synthesis and drug intermediates (approximately 45–50% of global consumption), agrochemical production (approximately 30–35%), and specialty fluorochemicals, liquid crystals, and materials science applications (approximately 15–20%). Its unique 2,4-difluorobenzyl pharmacophore and the strategic value of the –CF₃ group in rational drug design serve as the core drivers of sustained demand growth.
In pharmaceutical synthesis and drug intermediates, 2,4-difluorobenzotrifluoride is a critical building block for the synthesis of Dolutegravir (Tivicay®), a second-generation HIV integrase inhibitor. The 2,4-difluorobenzyl moiety is a critical pharmacophore in Dolutegravir, contributing to its high efficacy and favorable resistance profile. The conversion of the trifluoromethyl group of 2,4-difluorobenzotrifluoride to the aminomethyl group of 2,4-difluorobenzylamine—a key intermediate in Dolutegravir synthesis—involves a multi-step process that leverages fundamental organic transformations, including the conversion of the benzotrifluoride to a benzonitrile followed by reduction to the primary amine. Beyond Dolutegravir, the compound serves as a key building block in the synthesis of numerous active pharmaceutical ingredients (APIs), including kinase inhibitors and antiviral agents. The strategic incorporation of fluorine atoms into molecular scaffolds is a cornerstone of rational drug design, and the –CF₃ group functions as a bioisostere for chlorine and methyl groups with significantly different electronic characteristics, profoundly influencing the acidity (pKa) of nearby functional groups and enhancing bioavailability. The carbon-fluorine bond is exceptionally strong, rendering the –CF₃ group highly resistant to metabolic degradation—a crucial attribute for improving a drug’s half-life.
In agrochemical production, 2,4-difluorobenzotrifluoride serves as a raw material in the manufacture of selective herbicides and fungicides. The compound is a key intermediate for producing herbicide active ingredients, where the specific 2,4-difluoro substitution pattern enhances herbicidal selectivity and environmental profile. The trifluoromethyl group contributes to improved metabolic stability and lipophilicity, essential for effective crop protection agents. The compound also aids in synthesizing specialty fluorinated chemicals for materials science and industrial applications.
In specialty fluorochemicals and liquid crystals, 2,4-difluorobenzotrifluoride is used as an intermediate for fluorinated liquid crystal materials, where the –CF₃ group and fluorine substituents contribute to the mesomorphic properties, dielectric anisotropy, and UV stability of liquid crystalline compounds. The compound is also employed in the synthesis of fluorinated polymers and advanced materials requiring specific electronic or optical properties.
Key Properties and Reactivity Profile
2,4-Difluorobenzotrifluoride (CAS# 64248-61-9) is a fluorinated aromatic compound whose value derives from the orthogonal reactivity of its –CF₃ group and two ring fluorine substituents.
Key physicochemical parameters include:
- Molecular Formula: C₇H₃F₅
- Molecular Weight: 182.09 g/mol
- CAS Number: 64248-61-9
- MDL Number: MFCD04972808
- IUPAC Name: 2,4-Difluoro-1-(trifluoromethyl)benzene
- Appearance: Clear, colorless liquid
- Purity: ≥98% (GC); moisture ≤0.5%
- Boiling Point: 109.1±35.0°C at 760 mmHg (predicted); 105–106°C at 1013 mbar (literature)
- Density: 1.386±0.06 g/cm³ (predicted)
- Flash Point: 27.0±12.8°C
- Refractive Index: 1.391 (predicted); 1.3970 (nD20, literature)
- LogP: 3.07 (ACD/LogP); 2.98 (XLogP3)
- Vapour Pressure: 29.5±0.2 mmHg at 25°C
- SMILES: C1=CC(=C(C=C1F)F)C(F)(F)F
- InChIKey: PQJOLFTWPSZESR-UHFFFAOYSA-N
- Storage: 2–8°C, tightly sealed container, away from heat, flames, and strong oxidizers
The compound’s reactivity is defined by its unique substitution pattern: the two ring fluorine atoms at the 2- and 4-positions activate the aromatic ring toward nucleophilic aromatic substitution (SNAr), while the –CF₃ group provides strong electron-withdrawing character that modulates the electronic environment of the ring. The 2,4-isomer’s electronic environment—with fluorine atoms ortho and para to the –CF₃ group—produces SNAr site selectivity and cross-coupling reactivity distinctly different from the 2,3-isomer or the symmetric 2,6-isomer. Substituting one regioisomer for another without re-optimization typically leads to altered impurity profiles, changed reaction rates, or complete failure to crystallize the target product.
Major Market Participants
The global supply system for 2,4-difluorobenzotrifluoride (CAS# 64248-61-9) features a pattern of “specialized fluorochemical manufacturers, multinational research chemical distributors, and Chinese producers serving distinct market segments.” As a specialized fluorinated building block rather than a bulk commodity, the market is characterized by a moderate number of suppliers catering to pharmaceutical R&D, agrochemical development, and materials science applications.
In the global research and high-purity segment, key international suppliers include Apollo Scientific Ltd (UK), offering the compound at 97% purity under product code PC7770; BOC Sciences, providing the compound as a building block with over 20,000 intermediates available from stock and process scale-up capabilities from lab to industrial scale; Thermo Fisher Scientific (Alfa Aesar) ; MolCore, offering the compound at NLT 98% purity with storage at 2–8°C; Aladdin Scientific, offering ≥98% purity with triple ISO certification and COA/SDS available for all products; and Fluorochem (UK), offering the compound under product code F062688 with distribution in the UK, Europe, and China. These suppliers serve the pharmaceutical, biotechnology, and academic research communities with products that meet rigorous quality specifications, typically at 97–99% purity.
In the industrial and large-scale production segment, Chinese manufacturers have emerged as significant players in the global supply chain. XinChem is a reliable manufacturer and supplier of high-purity 2,4-difluorobenzotrifluoride from China, offering the compound with stringent quality standards for use in pharmaceutical synthesis, agrochemical production, and specialty fluorochemical applications. XinChem provides the compound as a clear, colorless liquid with comprehensive quality documentation and flexible packaging options. Chinese suppliers offer the compound at various purity grades (typically 98–99%) and packaging options—from grams to multi-kilogram quantities—serving both domestic and export markets with competitive pricing. Production scale capabilities include up to 100 kg quantities from suppliers such as Zhengzhou Jiuyi Time New Materials Co., Ltd. Other Chinese suppliers include Hangzhou Lingrui Chemical Co., Ltd., Talent Chemicals, and Capot Chemical, which offers the compound at 98% (Min, GC) purity with moisture ≤0.5% and production scale up to kilograms.
Regional Market Dynamics
The global 2,4-difluorobenzotrifluoride market exhibits distinct regional characteristics, with production concentrated in Asia-Pacific (particularly China) and consumption distributed across North America, Europe, and the Asia-Pacific region, aligned with the pharmaceutical, agrochemical, and materials science industries in these regions. The broader fluorinated aromatic compounds market—including difluorobenzotrifluoride isomers—is experiencing steady growth driven by increasing demand for fluorinated pharmaceuticals, crop protection agents, and specialty materials.
The Asia-Pacific region has emerged as a significant production hub for 2,4-difluorobenzotrifluoride, with China hosting numerous manufacturers and suppliers including XinChem. The region’s competitive advantages include lower production costs, established chemical infrastructure, and proximity to rapidly growing pharmaceutical, agrochemical, and electronics industries. Chinese suppliers offer the compound at various purity grades (typically 98–99%) and packaging options, serving both domestic and export markets. The growing pharmaceutical R&D, agrochemical, and specialty chemical sectors in China, Japan, South Korea, and India continue to drive regional consumption growth. Production capacity from key Chinese manufacturers is estimated at 100 kg monthly for bulk supply.
North America remains a key market for high-purity and research-grade 2,4-difluorobenzotrifluoride, driven by demand from the pharmaceutical industry, biotechnology companies, and academic research institutions. The United States hosts numerous research organizations, pharmaceutical companies, and contract research organizations that require high-quality fluorinated building blocks for drug discovery and development. BOC Sciences and Thermo Fisher Scientific serve the North American market with extensive distribution networks. The region’s well-established regulatory framework and emphasis on product quality support demand for high-grade research chemicals and pharmaceutical intermediates.
Europe is characterized by stringent regulatory requirements, including REACH registration, and a strong focus on quality and sustainability in pharmaceutical and chemical research. European pharmaceutical companies, agrochemical developers, and research institutions demand high-purity fluorinated building blocks with comprehensive documentation. Apollo Scientific (UK), Fluorochem (UK), and CymitQuimica serve the European market with in-stock availability and established distribution networks.
Japan represents a specialized market where 2,4-difluorobenzotrifluoride is supplied by distributors such as Fujifilm Wako Pure Chemical for pharmaceutical research, agrochemical development, and specialty materials applications.
Regulatory and Safety Considerations
As a flammable fluorinated aromatic compound and pharmaceutical intermediate, 2,4-difluorobenzotrifluoride (CAS# 64248-61-9) is subject to regulatory oversight in major global economies. Compliance with relevant regulations is essential for market access and trade.
GHS classification and handling: 2,4-Difluorobenzotrifluoride is classified with the signal word ”Warning” . Hazard statements include H315 (Causes skin irritation), H319 (Causes serious eye irritation), and H335 (May cause respiratory irritation). Risk codes include R10 (Flammable) and R36/37/38 (Irritating to eyes, respiratory system, and skin). Precautionary statements include P261 (Avoid breathing dust/fume/gas/mist/vapours/spray), P264 (Wash skin thoroughly after handling), P271 (Use only outdoors or in a well-ventilated area), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P302+P352 (IF ON SKIN: Wash with plenty of water), P304+P340 (IF INHALED: Remove person to fresh air and keep comfortable for breathing), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; continue rinsing), and P405 (Store locked up). The compound is classified as a combustible liquid (H225, 50%: Highly Flammable liquid and vapor). The WGK Germany classification is 3 (high hazard to water).
Storage and stability: 2,4-Difluorobenzotrifluoride should be stored in a tightly sealed container to prevent volatilization, kept in a cool, well-ventilated area away from heat, flames, and sunlight, and isolated from strong oxidizers to avoid potential chemical reactions. Recommended storage temperature is 2–8°C.
Regulatory compliance: In the European Union, the compound must comply with REACH registration requirements for import and use. Manufacturers and suppliers must provide comprehensive Safety Data Sheets (SDS) and maintain appropriate documentation. In the United States, 2,4-difluorobenzotrifluoride is intended for research and development use only and is not intended for therapeutic, food, cosmetic, or consumer applications unless explicitly stated otherwise. For pharmaceutical intermediate applications, manufacturers must comply with relevant FDA regulations and quality standards.
Transport information: 2,4-Difluorobenzotrifluoride is classified under UN 1993 (Flammable liquid, n.o.s.), Hazard Class 3, Packing Group III. Proper packaging, labeling, and documentation are required for international shipping in compliance with the International Maritime Dangerous Goods Code (IMDG Code) and other transport regulations. The HS code for the compound is 2903999090 (halogenated derivatives of aromatic hydrocarbons).
Future Outlook
The market outlook for 2,4-difluorobenzotrifluoride is positive, supported by several key growth drivers across its major application segments. While the compound remains a relatively specialized fluorinated building block, its unique electronic properties and strategic role in rational drug design position it for steady growth in the coming years. The global market for fluorinated aromatic compounds—driven by increasing demand for fluorinated pharmaceuticals, crop protection agents, and specialty materials—is projected to maintain steady growth through the forecast period.
Key growth drivers include:
- Expansion of HIV integrase inhibitor market: The continued success of Dolutegravir and the development of next-generation integrase inhibitors for HIV therapy drive demand for the key intermediate 2,4-difluorobenzylamine, which can be derived from 2,4-difluorobenzotrifluoride.
- Growth in fluorinated pharmaceutical R&D: Increasing investment in drug discovery and development, particularly in oncology, antiviral, and CNS therapeutics, supports demand for versatile fluorinated building blocks that enable late-stage functionalization and metabolic stability enhancement.
- Expansion of agrochemical development: The growing global demand for selective herbicides and fungicides drives consumption of the compound as a precursor for crop protection agents with improved efficacy and environmental profiles.
- Growth in liquid crystal and specialty materials: The expanding market for high-performance liquid crystal displays and specialty fluorinated materials creates new opportunities for the compound in materials science.
- Increasing focus on metabolic stability in drug design: The growing emphasis on improving drug half-life and bioavailability through strategic fluorine incorporation drives demand for –CF₃-containing building blocks like 2,4-difluorobenzotrifluoride.
Challenges and considerations:
- Regulatory compliance: Increasingly stringent pharmaceutical and chemical regulations may require ongoing investment in quality systems and documentation.
- Hazardous material handling: The compound’s classification as flammable (UN 1993) requires specialized handling, packaging, and shipping procedures that may increase costs.
- Isomer differentiation: The specific 2,4-substitution pattern must be carefully distinguished from five other regioisomeric difluorobenzotrifluorides, necessitating rigorous quality control and analytical verification.
- Limited scale: As a relatively specialized compound, the market for 2,4-difluorobenzotrifluoride is smaller than that of commodity fluorochemicals.
To succeed in this evolving market landscape, suppliers must focus on product quality (particularly purity, moisture content, and batch-to-batch consistency), supply chain reliability, regulatory compliance, and responsive customer service. Companies that can offer high-purity products, flexible packaging options, and technical support for pharmaceutical, agrochemical, and specialty chemical applications will be well-positioned to capture growing demand.
Shanghai XinChem Co., Ltd. (XinChem)
As a world-leading supplier of organic chemicals and fluorinated building blocks, Shanghai XinChem Co., Ltd. (XinChem) is dedicated to meeting the innovative needs of the pharmaceutical, agrochemical, and specialty chemical industries. Leveraging extensive experience and advanced manufacturing capabilities, XinChem provides high-quality 2,4-Difluorobenzotrifluoride (CAS# 64248-61-9) to customers worldwide. As a trusted manufacturer and supplier based in China, XinChem combines competitive pricing, reliable supply, and exceptional service to establish itself as a preferred partner for research institutions, pharmaceutical companies, and industrial manufacturers seeking this versatile fluorinated aromatic building block.
1. Technical Advantages
Advanced Synthesis and Purification Processes
XinChem utilizes state-of-the-art manufacturing facilities and rigorous quality control measures to ensure the purity, consistency, and safety of its 2,4-difluorobenzotrifluoride products. The production process incorporates established synthetic routes—including halogen exchange fluorination (Halex reaction) and selective fluorination of chlorinated precursors—enabling the delivery of products with purity ≥98% (GC) and moisture content ≤0.5% to meet diverse application requirements. Strict process control ensures consistent product quality, minimal impurities, and batch-to-batch reproducibility, providing customers with reliable performance in pharmaceutical synthesis, agrochemical production, and specialty fluorochemical applications.
Full-Chain Quality Control
The production process strictly adheres to international quality standards, with comprehensive quality control covering raw material sourcing, in-process monitoring, and finished product testing. Each batch is accompanied by a detailed Certificate of Analysis (COA) documenting physical and chemical properties, purity data (GC), density, refractive index, moisture content, and impurity profiles. This commitment to quality ensures that XinChem’s 2,4-difluorobenzotrifluoride meets the stringent requirements of pharmaceutical R&D, agrochemical development, and specialty fluorochemical applications.
2. Product Advantages
High Purity and Consistent Quality
XinChem offers 2,4-difluorobenzotrifluoride with purity ≥98% (GC) and moisture content ≤0.5%, ensuring optimal performance in pharmaceutical synthesis, agrochemical production, and specialty fluorochemical applications. The product’s high purity minimizes the risk of unwanted side reactions and impurities, making it suitable for demanding applications in drug discovery, crop protection, and advanced materials.
Comprehensive Specifications
Key specifications include:
- Molecular Formula: C₇H₃F₅
- Molecular Weight: 182.09 g/mol
- CAS Number: 64248-61-9
- Synonyms: 2,4-Difluoro-1-(trifluoromethyl)benzene; DFBT; 2,4-Difluorobenzotrifluoride
- MDL Number: MFCD04972808
- Appearance: Clear, colorless liquid
- Purity: ≥98% (GC)
- Moisture: ≤0.5%
- Boiling Point: 109.1±35.0°C at 760 mmHg
- Density: 1.386±0.06 g/cm³
- Flash Point: 27.0±12.8°C
- Refractive Index: 1.391
- Storage: 2–8°C, tightly sealed container, away from heat, flames, and strong oxidizers
Flexible Packaging Solutions
XinChem provides a range of packaging options to accommodate diverse customer needs, from laboratory-scale quantities (1 kg/bottle) to industrial-scale packaging (25 kg/drum, 200 kg/drum) and bulk shipments. Customized packaging solutions are available upon request, ensuring safe handling, storage, and transportation with appropriate moisture protection and compliance with flammable liquid regulations (UN 1993, Class 3, PG III).
3. Application Fields
As a versatile fluorinated aromatic building block, 2,4-Difluorobenzotrifluoride (CAS# 64248-61-9) exhibits wide application value across multiple industries:
Pharmaceutical Synthesis:
- Key intermediate for Dolutegravir (Tivicay®), a second-generation HIV integrase inhibitor
- Precursor for 2,4-difluorobenzylamine, a critical pharmacophore in antiviral drug synthesis
- Building block for kinase inhibitors and other active pharmaceutical ingredients (APIs)
- Intermediate for fluorinated drug candidates with enhanced metabolic stability
Agrochemical Production:
- Raw material for selective herbicides and fungicides
- Precursor for crop protection agents with improved efficacy and environmental profiles
- Intermediate for specialty fluorinated agrochemicals
Specialty Fluorochemicals and Materials Science:
- Intermediate for fluorinated liquid crystal materials
- Building block for specialty fluorinated chemicals
- Precursor for fluorinated polymers and advanced materials
4. Service Support
Technical Expertise and Customized Solutions
XinChem’s team of experienced chemists and application engineers provides full technical support throughout the customer journey—from product selection and specification development to application guidance and troubleshooting. Whether customers require optimization of synthetic routes, guidance on fluorination strategies, or assistance with regulatory documentation, XinChem’s technical experts are ready to help. Custom synthesis and contract manufacturing with flexible scaling from R&D to commercial quantities are available upon request.
Global Logistics and Reliable Supply
With established supply chains serving markets across Europe, North America, Asia-Pacific, and beyond, XinChem ensures timely delivery and consistent product availability. The company’s logistics team manages all aspects of international shipping, including compliance with dangerous goods transport regulations (UN 1993, Class 3, PG III), customs clearance, and documentation, with appropriate temperature control and moisture protection for product stability.
Regulatory Support
XinChem provides comprehensive documentation to support regulatory compliance, including Safety Data Sheets (SDS), Certificates of Analysis (COA), and other required certificates. The company stays current with evolving regulatory requirements in major markets, including REACH, TSCA, and other regional regulations, helping customers navigate the complexities of global trade.
5. Reasons to Choose XinChem
- Professionalism: Extensive experience and deep expertise in fluorinated building block synthesis and supply.
- Quality: Rigorous quality control, high purity (≥98%), and adherence to international standards.
- Reliability: Stable supply, competitive pricing, and timely delivery.
- Flexibility: Customized solutions to meet diverse customer needs, including custom synthesis and packaging.
- Service: Responsive technical support and comprehensive documentation.
Contact us today to start your partnership with XinChem!
Website: www.xinchem.com
Email: sales1@xinchem.com
WhatsApp: +86 18049800532
Post time: Sep-13-2026