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2-Bromo-6-fluorobenzotrifluoride (CAS# 261951-85-3), also known as 1-bromo-3-fluoro-2-(trifluoromethyl)benzene, 2-bromo-α,α,α,6-tetrafluorotoluene, or 3-fluoro-2-(trifluoromethyl)bromobenzene, is a polyhalogenated aromatic building block with the molecular formula C₇H₃BrF₄ and a molecular weight of 243.00 g/mol. Its molecular structure features a benzene ring bearing a bromine atom at the 2-position (ortho to the trifluoromethyl group), a fluorine atom at the 6-position (ortho to the bromine), and a trifluoromethyl (–CF₃) group at the 1-position. This precise ortho-disubstituted pattern—combining a sterically demanding bromine atom adjacent to both a fluorine atom and a trifluoromethyl group—creates a unique sterically congested and electronically polarized environment that is fundamentally distinct from its 4-bromo, 5-bromo, or other regioisomeric analogs. The compound exists as a clear, colorless to almost colorless liquid at 20°C with a density of approximately 1.76 g/mL, a refractive index of 1.47, a boiling point of 173.9 ± 35.0°C at 760 mmHg, and a flash point of 76°C. It is insoluble in water but soluble in common organic solvents. The compound is typically supplied at ≥97% purity (GC) and should be stored at room temperature in a cool, dark place (recommended below 15°C) protected from moisture and ignition sources. Under GHS, it is classified with the signal word “Warning” (H302, H315, H319, H332, H335) and requires standard laboratory safety precautions during handling.

2-Bromo-6-fluorobenzotrifluoride is a strategically important sterically congested ortho-disubstituted aryl halide that serves as a critical building block for KRAS G12C inhibitors, Sos1 modulators, and advanced liquid crystal materials. Its unique combination of a bromine handle for palladium-catalyzed cross-coupling, a fluorine atom for nucleophilic aromatic substitution, and a trifluoromethyl group for lipophilicity and metabolic stability—all arranged in a sterically demanding ortho-disubstituted pattern—positions it as an indispensable building block in modern medicinal chemistry and materials science. The compound’s specific regioisomeric arrangement cannot be substituted by other bromo-fluoro-benzotrifluoride isomers without fundamentally altering cross-coupling reactivities, electronic environments, and downstream molecular geometries. 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 fluorinated aryl halide building block.

Core Application Fields and Demand

Market demand for 2-bromo-6-fluorobenzotrifluoride (CAS# 261951-85-3) is concentrated in four primary sectors: pharmaceutical R&D and oncology drug discovery (approximately 45–50% of global consumption), liquid crystal and display materials (approximately 20–25%), agrochemical development (approximately 15–20%), and specialty materials and analytical applications (approximately 10–15%). Its sterically congested ortho-disubstituted pattern and demonstrated utility in KRAS G12C inhibitor and Sos1 modulator synthesis serve as the core drivers of sustained demand growth.

In pharmaceutical R&D and oncology drug discovery, 2-bromo-6-fluorobenzotrifluoride is a critical building block for the synthesis of KRAS G12C inhibitors and Sos1 inhibitors—two of the most actively pursued therapeutic targets in precision oncology. The compound is specifically cited in patent families covering Sos1 inhibitors (US-2021188857-A1 and WO-2021127429-A1) and KRAS G12C inhibitor compounds (CN-112778302-A), underscoring its essential role in the development of next-generation cancer therapeutics. The Son of Sevenless 1 (Sos1) protein is a guanine nucleotide exchange factor that activates RAS proteins, and its inhibition represents a promising strategy for treating RAS-driven cancers. The KRAS G12C mutation is one of the most common oncogenic drivers in non-small cell lung cancer, colorectal cancer, and pancreatic cancer. The compound’s sterically congested ortho-disubstituted pattern enables the construction of complex biaryl architectures through sequential palladium-catalyzed cross-coupling reactions, providing the precise molecular geometry required for high target binding affinity. The trifluoromethyl group enhances lipophilicity and metabolic stability of downstream drug candidates, while the fluorine atom modulates the electronic environment and provides additional sites for functionalization.

In liquid crystal and display materials, 2-bromo-6-fluorobenzotrifluoride is used as a key intermediate for the synthesis of fluorinated liquid crystal compounds for advanced display technologies. The compound’s ortho-disubstituted pattern with bromine and trifluoromethyl groups provides a rigid, polarizable scaffold that is well-suited for constructing liquid crystalline materials with tailored dielectric anisotropy, birefringence, and UV stability. Fluorinated liquid crystals are essential components of high-performance LCD and OLED displays, enabling faster response times, lower power consumption, and improved image quality. The compound is also employed in the synthesis of liquid crystal materials with negative dielectric anisotropy for vertically aligned (VA) mode displays.

In agrochemical development, 2-bromo-6-fluorobenzotrifluoride serves as a key intermediate for the synthesis of modern fungicides and crop protection agents. The compound’s derivatives are used in the synthesis of flusilazole (a broad-spectrum fungicide that inhibits fungal growth by disrupting cell membrane integrity) and prothioconazole (a fungicide that interferes with sterol biosynthesis in fungal cell membranes). The trifluoromethyl group enhances metabolic stability and environmental persistence of agrochemical active ingredients, while the bromine and fluorine atoms provide reactive handles for further functionalization. The compound is also used in the development of herbicides and insecticides targeting specific agricultural pests.

In specialty materials and analytical applications, 2-bromo-6-fluorobenzotrifluoride is employed as a building block for the synthesis of functional fluorinated materials with tailored electronic and optical properties. The compound is used as a reference standard for analytical method development, calibration, and quality control. Its well-characterized structure and high purity make it suitable for use in GC-MS and HPLC method development. It also serves as a valuable reagent in academic and industrial research, facilitating studies in organic chemistry, fluorination chemistry, and materials science.

Key Properties and Reactivity Profile

2-Bromo-6-fluorobenzotrifluoride (CAS# 261951-85-3) is a sterically congested ortho-disubstituted aryl halide whose value derives from the orthogonal reactivity of its bromine, fluorine, and trifluoromethyl substituents.

Key physicochemical parameters include:

Molecular Formula: C₇H₃BrF₄
Molecular Weight: 243.00 g/mol
CAS Number: 261951-85-3
MDL Number: MFCD01631569
Synonyms: 1-Bromo-3-fluoro-2-(trifluoromethyl)benzene; 2-Bromo-α,α,α,6-tetrafluorotoluene; 3-Fluoro-2-(trifluoromethyl)bromobenzene; Benzene, 1-bromo-3-fluoro-2-(trifluoromethyl)-
IUPAC Name: 1-bromo-3-fluoro-2-(trifluoromethyl)benzene
SMILES: C1=CC(=C(C(=C1)Br)C(F)(F)F)F
InChIKey: LOXSSZUHCPBDMD-UHFFFAOYSA-N
Appearance: Colorless to almost colorless clear liquid
Purity: ≥97% (GC); ≥98% available
Boiling Point: 173.9 ± 35.0°C at 760 mmHg
Density: 1.695–1.765 g/cm³
Refractive Index: 1.4710–1.4750
Flash Point: 76.3°C
Vapor Pressure: 1.66 mmHg at 25°C
LogP: 3.607 (XLogP3)
Topological Polar Surface Area: 0 Å²
Hydrogen Bond Acceptor Count: 4
Solubility: Insoluble in water; soluble in common organic solvents
Storage: Room temperature, cool and dark place (recommended <15°C), protect from moisture and ignition sources
GHS Classification: Warning; H302 (Harmful if swallowed), H315 (Causes skin irritation), H319 (Causes serious eye irritation), H332 (Harmful if inhaled), H335 (May cause respiratory irritation)
Transport Classification: Not classified as hazardous material for DOT/IATA transport under standard conditions

The compound’s reactivity is defined by its three orthogonal handles arranged in a sterically congested ortho-disubstituted pattern: the bromine atom at C2 serves as the preferential site for palladium-catalyzed cross-coupling reactions (Suzuki-Miyaura, Buchwald-Hartwig, Sonogashira), enabling the introduction of diverse aryl, heteroaryl, and alkyl substituents; the fluorine atom at C6 activates the aromatic ring toward nucleophilic aromatic substitution (SNAr) and provides a site for further functionalization; and the trifluoromethyl group at C1 provides strong electron-withdrawing character that modulates the electronic environment of the ring and enhances the lipophilicity and metabolic stability of downstream derivatives. The ortho-disposition of the bromine and fluorine atoms creates a unique sterically congested and electronically polarized environment that is fundamentally distinct from other regioisomeric bromo-fluoro-benzotrifluorides. This precise substitution pattern dictates fundamentally different electronic environments, cross-coupling reactivities, and downstream molecular geometries, making the compound non-interchangeable with its positional isomers in synthetic applications. The liquid form at room temperature simplifies handling and dispensing in process chemistry.

Major Market Participants

The global supply system for 2-bromo-6-fluorobenzotrifluoride (CAS# 261951-85-3) features a pattern of “specialized fluorochemical manufacturers, multinational research chemical distributors, and Chinese producers serving distinct market segments.” As a specialized sterically congested aryl halide building block rather than a bulk commodity, the market is characterized by a moderate number of suppliers catering to pharmaceutical R&D, liquid crystal materials, and agrochemical development.

In the global research and high-purity segment, key international suppliers include Fluorochem (UK), offering the compound at 96% purity under product code F005820, with in-stock availability in the UK (1 g at £5.00, 5 g at £12.00, 10 g at £20.00, 25 g at £43.00, 100 g at £137.00, 500 g at £532.00). Tokyo Chemical Industry (TCI) offers the compound at >97.0% (GC) purity under product code B4833, with specifications including colorless to almost colorless clear liquid appearance, flash point of 76°C, specific gravity of 1.76, refractive index of 1.47, and storage at room temperature (below 15°C in a cool, dark place). Apollo Scientific (UK) offers the compound at 97% purity. Chem-Impex International offers the compound under catalog number 46081. BenchChem offers the compound under catalog number B1333229 with standard pack sizes of 10 mg, 50 mg, 100 mg, and bulk custom, emphasizing its role as a polyhalogenated aromatic building block with a sterically congested ortho-disubstituted pattern. BOC Sciences offers the compound as a useful research chemical with molecular weight of 243.00 g/mol and canonical SMILES C1=CC(=C(C(=C1)Br)C(F)(F)F)F. AK Scientific (AKSci) offers the compound at 95% purity under product code J97165. Santa Cruz Biotechnology offers the compound under catalog number sc-262587. CymitQuimica offers the compound under CAS 261951-85-3 with multiple purity grades and pricing from €29.00 to €737.00. GlpBio offers the compound under CAS 261951-85-3 with pricing of $69.00 for 100 mg and $194.00 for 100 g. These suppliers serve the pharmaceutical, biotechnology, and academic research communities with products that meet rigorous quality specifications.

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-bromo-6-fluorobenzotrifluoride from China, offering the compound with stringent quality standards for use in KRAS G12C inhibitor synthesis, Sos1 modulator development, liquid crystal materials, and agrochemical manufacturing. XinChem provides the compound as a colorless to almost colorless clear liquid with comprehensive quality documentation, batch-specific Certificates of Analysis (COA), customizable packaging, and globally compliant REACH, ISO 9001, and GMP-aligned manufacturing. The company emphasizes that 2-bromo-6-fluorobenzotrifluoride is a critical building block for the synthesis of KRAS G12C inhibitors and Sos1 inhibitors, as well as a key intermediate for fluorinated liquid crystal materials for advanced display technologies. XinChem offers custom synthesis and contract manufacturing with flexible scaling from R&D to commercial tons. Other Chinese suppliers include Capot Chemical (科邦特), offering the compound at 98% minimum purity (GC) with moisture ≤0.5% and production scale up to kilograms, with applications as an organic synthesis intermediate. Bide Pharmatech (毕得医药) offers the compound at 97% purity under catalog number BD104632 with batch quality inspection reports (NMR, HPLC, GC). Shanghai Titan Scientific (Adamas) offers the compound under product code 01197829 with batch-specific Certificates of Analysis. Aromsyn (奥利司) offers the compound at >97% purity as a specialized manufacturer of high-purity fluorinated intermediates, emphasizing its suitability for coupling reactions, drug molecule modification, and functional material synthesis. MolCore (摩库) offers the compound at NLT 98% purity, compliant with ISO certification systems for global pharmaceutical R&D and quality control requirements. Bouling Chemical (博凌化工) offers the compound as an accredited factory with strict quality protocols, every batch undergoing rigorous testing. Macklin (麦克林) offers the compound at 97% purity under product code B802384. Shanghai Aladdin Biochemical Technology (阿拉丁) offers the compound under CAS 261951-85-3. ChemBase offers the compound at 97% purity under product code CB81145638. Chinese suppliers offer the compound at various purity grades (typically 96–98%) and packaging options—from 1 g to 500 g and bulk quantities—serving both domestic and export markets.

Regional Market Dynamics

The global 2-bromo-6-fluorobenzotrifluoride 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, liquid crystal, and agrochemical industries in these regions. According to the Global Market Report of 2-Bromo-6-fluorobenzotrifluoride (CAS 261951-85-3), comprehensive data is available globally and regionally covering Europe, Asia, North America, and Latin America, including manufacture methods and technology development, with forecasts extending through 2029.

The Asia-Pacific region has emerged as a significant production hub for 2-bromo-6-fluorobenzotrifluoride, 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 and liquid crystal industries. Chinese suppliers offer the compound at various purity grades (typically 96–98%) and packaging options, serving both domestic and export markets. The growing pharmaceutical R&D, KRAS G12C inhibitor development, and liquid crystal materials sectors in China, Japan, South Korea, and India continue to drive regional consumption growth. The compound is classified as a pharmaceutical intermediate, liquid crystal intermediate, and organic synthesis intermediate in the Chinese market, with multiple suppliers offering the product in packaging sizes ranging from 1 g to 500 g and bulk quantities.

North America remains a key market for high-purity and research-grade 2-bromo-6-fluorobenzotrifluoride, 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 sterically congested aryl halide building blocks for KRAS G12C inhibitor and Sos1 modulator development. BenchChem, BOC Sciences, AK Scientific, and Santa Cruz Biotechnology serve the North American market with extensive distribution networks. The region’s well-established regulatory framework, including FDA oversight of oncology drug manufacturing, supports 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 liquid crystal applications. European pharmaceutical companies, liquid crystal manufacturers, and research institutions demand high-purity fluorinated aryl halide intermediates with comprehensive documentation. Fluorochem (UK), Apollo Scientific (UK), and CymitQuimica serve the European market with in-stock availability. The region’s advanced pharmaceutical and display industries support steady demand for high-quality KRAS G12C inhibitor intermediates and fluorinated liquid crystal materials.

Japan represents a specialized market where 2-bromo-6-fluorobenzotrifluoride is supplied by Tokyo Chemical Industry (TCI) and other distributors for pharmaceutical research, liquid crystal development, and fine chemical applications.

Regulatory and Safety Considerations

As a halogenated aryl halide intermediate with applications in pharmaceutical, liquid crystal, and agrochemical synthesis, 2-bromo-6-fluorobenzotrifluoride (CAS# 261951-85-3) 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-Bromo-6-fluorobenzotrifluoride is classified with the signal word “Warning”. Hazard statements include H302 (Harmful if swallowed), H315 (Causes skin irritation), H319 (Causes serious eye irritation), H332 (Harmful if inhaled), and H335 (May cause respiratory irritation). The compound is classified as Acute Tox. 4 (Oral) , Acute Tox. 4 (Inhalation) , Skin Irrit. 2, Eye Irrit. 2, and STOT SE 3 (respiratory system). Precautionary statements include P260 (Do not breathe dust/fume/gas/mist/vapours/spray), P264 (Wash hands thoroughly after handling), P270 (Do not eat, drink or smoke when using this product), P271 (Use only outdoors or in a well-ventilated area), P280 (Wear protective gloves/protective clothing and eye/face protection), P301+P310 (IF SWALLOWED: Immediately call a POISON CENTER/doctor), P301+P330+P331 (IF SWALLOWED: Rinse mouth. Do NOT induce vomiting), P302+P352 (IF ON SKIN: Wash with plenty of water and soap), P303+P361+P353 (IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with 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), P308+P313 (IF exposed or concerned: Get medical advice/attention), P321 (Specific treatment), and P501 (Dispose of contents/container to an approved waste disposal plant). The compound is classified as GHS07 – Harmful/Irritant. Personal protective equipment including chemical-resistant gloves, eye protection, and face protection should be worn during handling, and operations should be conducted in a well-ventilated environment or fume hood.

Storage and stability: 2-Bromo-6-fluorobenzotrifluoride should be stored at room temperature in a cool and dark place (recommended below 15°C) protected from moisture and ignition sources. The compound is a combustible liquid (flash point 76°C) and should be kept away from heat, sparks, open flames, and hot surfaces. It should be stored in a tightly sealed container and protected from light.

Regulatory compliance: In the European Union, the compound must comply with REACH registration requirements for import and use. The compound has an MDL number of MFCD01631569. Manufacturers and suppliers must provide comprehensive Safety Data Sheets (SDS) and maintain appropriate documentation. In the United States, 2-bromo-6-fluorobenzotrifluoride 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. The compound is not a controlled substance.

Transport information: 2-Bromo-6-fluorobenzotrifluoride is not classified as hazardous material for DOT/IATA transport purposes under standard conditions. Proper packaging, labeling, and documentation are nevertheless required for international shipping. The compound is typically shipped at ambient temperature with appropriate protection from moisture and light. The HS code for the compound is 2903999090 (halogenated derivatives of aromatic hydrocarbons).

Future Outlook

The market outlook for 2-bromo-6-fluorobenzotrifluoride is positive, supported by several key growth drivers across its major application segments. While the compound remains a relatively specialized sterically congested aryl halide building block, its essential role in KRAS G12C inhibitor and Sos1 modulator synthesis, combined with its utility in liquid crystal and agrochemical development, positions it for steady growth in the coming years.

Key growth drivers include:

Expansion of KRAS G12C inhibitor R&D: The continued development of KRAS G12C inhibitors for non-small cell lung cancer, colorectal cancer, and pancreatic cancer drives demand for sterically congested ortho-disubstituted aryl halide building blocks that enable the construction of complex biaryl architectures. The compound’s specific citation in KRAS G12C inhibitor patent families (CN-112778302-A) and Sos1 inhibitor patent families (US-2021188857-A1 and WO-2021127429-A1) positions it at the forefront of precision oncology drug discovery.
Growth in Sos1 modulator development: The increasing interest in Sos1 inhibitors as a therapeutic strategy for RAS-driven cancers drives demand for 2-bromo-6-fluorobenzotrifluoride as a key building block for Sos1 modulator synthesis. The growing understanding of RAS signaling pathways and the development of combination therapies targeting multiple nodes of the RAS-MAPK pathway support sustained demand.
Expansion of liquid crystal and display technologies: The growing demand for high-performance LCD and OLED displays—particularly in smartphones, televisions, and automotive displays—drives consumption of 2-bromo-6-fluorobenzotrifluoride as a key intermediate for fluorinated liquid crystal compounds with tailored dielectric anisotropy and UV stability.
Growth in agrochemical development: The increasing global demand for novel fungicides and crop protection agents—driven by increasing food production needs and the development of more selective, environmentally friendly agrochemicals—supports consumption of 2-bromo-6-fluorobenzotrifluoride as a key intermediate for flusilazole, prothioconazole, and other modern fungicides.
Increasing focus on sterically congested scaffolds in drug discovery: The growing recognition of the critical role of steric congestion and electronic polarization in determining cross-coupling reactivity and biological activity drives demand for 2-bromo-6-fluorobenzotrifluoride as a building block that cannot be substituted by other regioisomeric bromo-fluoro-benzotrifluorides without introducing quantifiable liabilities in reactivity and product profiles.

Challenges and considerations:

Regulatory compliance: Increasingly stringent pharmaceutical and chemical regulations may require ongoing investment in quality systems and documentation.
Limited scale: As a specialized sterically congested aryl halide building block, the market for 2-bromo-6-fluorobenzotrifluoride is smaller than that of commodity chemicals.
Competition from alternative building blocks: The market faces competition from other bromo-fluoro-benzotrifluoride regioisomers and alternative aryl halide intermediates with similar reactivity profiles. The precise ortho-disubstituted pattern of 2-bromo-6-fluorobenzotrifluoride creates a unique sterically congested and electronically polarized environment that cannot be readily substituted without fundamentally altering cross-coupling reactivities and downstream molecular geometries.
Handling requirements: The compound’s classification as an irritant (H302, H315, H319, H332, H335) requires appropriate safety measures during handling and storage.

To succeed in this evolving market landscape, suppliers must focus on product quality (particularly regioisomeric purity 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, liquid crystal, and agrochemical 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, liquid crystal, and agrochemical industries. Leveraging extensive experience and advanced manufacturing capabilities, XinChem provides high-quality 2-Bromo-6-fluorobenzotrifluoride (CAS# 261951-85-3) 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 pharmaceutical companies, liquid crystal manufacturers, and research institutions seeking this versatile sterically congested ortho-disubstituted aryl halide 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 regioisomeric integrity of its 2-bromo-6-fluorobenzotrifluoride products. The production process incorporates established synthetic routes—including the selective bromination of 3,5-difluorotoluene followed by reaction with chlorotrifluoromethane and methyl bromide under aerobic conditions, as well as other optimized halogenation and trifluoromethylation methods—enabling the delivery of products with purity ≥97% (GC) and ≥98% (GC) to meet diverse application requirements. Strict process control ensures consistent product quality, minimal regioisomeric impurities, and batch-to-batch reproducibility, providing customers with reliable performance in KRAS G12C inhibitor synthesis, Sos1 modulator development, liquid crystal materials, and agrochemical manufacturing.

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 (1.695–1.765 g/cm³), refractive index (1.4710–1.4750), boiling point (173.9 ± 35.0°C), and impurity profiles. XinChem offers batch-specific COA, customizable packaging, and globally compliant REACH, ISO 9001, and GMP-aligned manufacturing.

2. Product Advantages

High Purity and Consistent Quality
XinChem offers 2-bromo-6-fluorobenzotrifluoride with purity ≥97% (GC) and ≥98% (GC) available, ensuring optimal performance in KRAS G12C inhibitor synthesis, Sos1 modulator development, liquid crystal materials, and agrochemical applications. The product’s high purity and regioisomeric consistency minimize the risk of unwanted side reactions and failed cross-couplings, making it suitable for demanding applications in drug discovery and materials science. The compound is supplied as a colorless to almost colorless clear liquid with consistent appearance and defined physicochemical properties.

Comprehensive Specifications
Key specifications include:

Molecular Formula: C₇H₃BrF₄
Molecular Weight: 243.00 g/mol
CAS Number: 261951-85-3
MDL Number: MFCD01631569
Synonyms: 1-Bromo-3-fluoro-2-(trifluoromethyl)benzene; 2-Bromo-α,α,α,6-tetrafluorotoluene; 3-Fluoro-2-(trifluoromethyl)bromobenzene
Appearance: Colorless to almost colorless clear liquid
Purity: ≥97% (GC) / ≥98% (GC) available
Boiling Point: 173.9 ± 35.0°C at 760 mmHg
Density: 1.695–1.765 g/cm³
Refractive Index: 1.4710–1.4750
Flash Point: 76.3°C
Vapor Pressure: 1.66 mmHg at 25°C
LogP: 3.607 (XLogP3)
Topological Polar Surface Area: 0 Å²
Solubility: Insoluble in water; soluble in common organic solvents
Storage: Room temperature, cool and dark place (recommended <15°C), protect from moisture and ignition sources
GHS Classification: Warning; H302, H315, H319, H332, H335
Transport Classification: Not classified as hazardous material for DOT/IATA transport under standard conditions

Flexible Packaging Solutions
XinChem provides a range of packaging options to accommodate diverse customer needs, from laboratory-scale quantities (1 g, 5 g, 10 g, 25 g) to industrial-scale packaging (100 g, 500 g, 1 kg, 5 kg, 25 kg) and bulk shipments. Customized packaging solutions are available upon request, ensuring safe handling, storage, and transportation with appropriate protection from moisture and light.

3. Application Fields

As a sterically congested ortho-disubstituted aryl halide building block, 2-Bromo-6-fluorobenzotrifluoride (CAS# 261951-85-3) exhibits wide application value across multiple industries:

Pharmaceutical R&D and Oncology Drug Discovery:

Critical building block for KRAS G12C inhibitors (CN-112778302-A patent family) for non-small cell lung cancer, colorectal cancer, and pancreatic cancer
Key intermediate for Sos1 inhibitors (US-2021188857-A1 and WO-2021127429-A1 patent families) for RAS-driven cancers
Building block for kinase inhibitor libraries targeting RAS-MAPK signaling pathways
Precursor for complex biaryl architectures through sequential palladium-catalyzed cross-coupling reactions

Liquid Crystal and Display Materials:

Key intermediate for fluorinated liquid crystal compounds for advanced LCD and OLED displays
Building block for liquid crystal materials with tailored dielectric anisotropy and UV stability
Precursor for negative dielectric anisotropy liquid crystals for VA-mode displays
Component for high-performance display materials with faster response times and lower power consumption

Agrochemical Development:

Key intermediate for flusilazole (broad-spectrum fungicide)
Precursor for prothioconazole (sterol biosynthesis inhibitor fungicide)
Building block for modern herbicides and insecticides
Intermediate for crop protection agents with enhanced metabolic stability and environmental persistence

Specialty Materials and Analytical Applications:

Building block for functional fluorinated materials with tailored electronic and optical properties
Reference standard for analytical method development and quality control (GC-MS, HPLC)
Reagent for academic and industrial research in organic chemistry and materials science

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 cross-coupling reaction conditions, guidance on regioisomeric purity assessment, 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 tons 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 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 aryl halide synthesis and supply.
Quality: Rigorous quality control, high purity (≥97% to ≥98%), regioisomeric specificity, 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 including batch-specific COA.

Website: www.xinchem.com

Email: sales1@xinchem.com

WhatsApp: +86 18049800532

Post time: Oct-10-2026

The Sterically Congested Ortho-Disubstituted Aryl Halide Building Block for KRAS G12C Inhibitors, Sos1 Modulators, and Advanced Liquid Crystal Materials: 2-Bromo-6-fluorobenzotrifluoride (CAS# 261951-85-3)