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5-Cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7), also known as 4-fluoro-3-(trifluoromethyl)benzonitrile, 4-fluoro-3-(trifluoromethyl)benzenecarbonitrile, 2-fluoro-5-cyanobenzotrifluoride, or α,α,α,4-tetrafluoro-m-tolunitrile, is a trifluoromethylated fluorobenzonitrile with the molecular formula C₈H₃F₄N and a molecular weight of 189.11 g/mol. Its molecular structure features a benzonitrile core bearing a fluorine atom at the 4-position and a trifluoromethyl (–CF₃) group at the 3-position. This precise 4-F, 3-CF₃ substitution pattern—distinguishing it from other fluorinated benzonitrile regioisomers—creates a distinct electronic environment and steric profile that directly influences its reactivity in nucleophilic aromatic substitution and palladium-mediated cross-coupling reactions. The compound appears as a white to almost white crystalline powder or solid with a melting point of 66–70°C, a boiling point of 195°C (202.5 ± 35.0°C at 760 mmHg predicted), a density of 1.4 g/cm³, a refractive index of n20D 1.44, and a flash point of 68°C. It is insoluble in water but soluble in organic solvents such as methanol, ethanol, ether, and methylene chloride. The compound is typically supplied at ≥98% purity (GC) and should be stored at 2–8°C in a tightly sealed container protected from light and moisture. Under GHS, it is classified with the signal word “Danger” (H301+H311+H331: Toxic if swallowed, in contact with skin or if inhaled) and requires standard laboratory safety precautions during handling.

5-Cyano-2-fluorobenzotrifluoride is a strategically important precision fluorinated benzonitrile building block that provides the exact 4-fluoro-3-trifluoromethyl substitution pattern essential for potent TrkA kinase inhibitors—a class of compounds with demonstrated IC₅₀ values of 1.95–4.20 nM. It serves as a critical intermediate in the synthesis of anti-inflammatory and anti-cancer drugs, CNS-active compounds, and agrochemicals. The compound’s unique combination of a nitrile handle for amidation and reduction, a fluorine atom enabling SNAr and cross-coupling, and a trifluoromethyl group enhancing lipophilicity and metabolic stability positions it as an indispensable building block in modern medicinal chemistry and pharmaceutical development. 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 benzonitrile.

Core Application Fields and Demand

Market demand for 5-cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) is concentrated in four primary sectors: pharmaceutical R&D and kinase inhibitor synthesis (approximately 45–50% of global consumption), CNS therapeutic development (approximately 20–25%), agrochemical development (approximately 15–20%), and specialty materials and analytical applications (approximately 10–15%). Its precision 4-F, 3-CF₃ substitution pattern and demonstrated utility in potent TrkA inhibitor synthesis serve as the core drivers of sustained demand growth.

In pharmaceutical R&D and kinase inhibitor synthesis, 5-cyano-2-fluorobenzotrifluoride is a critical building block for the synthesis of potent TrkA kinase inhibitors (IC₅₀ 1.95–4.20 nM). The tropomyosin receptor kinase A (TrkA) pathway is a validated therapeutic target for pain, inflammation, and oncology. The compound’s specific 4-fluoro-3-trifluoromethyl substitution pattern is essential for achieving high potency—regioisomeric impurities in fluorinated benzonitriles derail kinase inhibitor campaigns, and generic 3-fluoro-4-(trifluoromethyl) analogs alter electronic parameters, causing failed cross-couplings. Substituting with a closely related isomer would fundamentally change the electronic environment and steric profile, directly influencing reactivity in SNAr and cross-coupling reactions. The compound is also widely used in the synthesis of anti-inflammatory and anti-cancer drugs, enhancing therapeutic efficacy, as well as in the development of CNS-active compounds. Its consensus LogP of approximately 2.99 and topological polar surface area of 23.8 Å² are favorable for CNS penetration, making it valuable for neurological disorder drug development.

In CNS therapeutic development, 5-cyano-2-fluorobenzotrifluoride serves as a key intermediate for the synthesis of compounds targeting neurological disorders. The compound’s favorable physicochemical profile—moderate lipophilicity and low polar surface area—supports blood-brain barrier penetration, a critical requirement for CNS therapeutics. It is employed in the development of therapeutic agents for pain management, neurodegenerative diseases, and psychiatric disorders.

In agrochemical development, 5-cyano-2-fluorobenzotrifluoride is utilized in formulating agrochemicals, including pesticides and herbicides, providing effective solutions for crop protection while minimizing environmental impact. The compound exhibits toxic effects against certain insects, fungi, and bacteria, and possesses herbicidal activity. The fluorine and trifluoromethyl substituents enhance the metabolic stability and environmental persistence of agrochemical active ingredients, while the nitrile group provides a handle for further functionalization.

In specialty materials and analytical applications, 5-cyano-2-fluorobenzotrifluoride is employed in the production of specialty polymers and materials, offering improved thermal stability and chemical resistance for applications in coatings and adhesives. The compound plays a critical role in the study of fluorinated compounds, contributing to advancements in green chemistry and sustainable synthesis methods. It is also utilized as a standard in analytical techniques such as chromatography, aiding researchers in accurately quantifying and analyzing complex mixtures.

Key Properties and Reactivity Profile

5-Cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) is a precision fluorinated benzonitrile whose value derives from the orthogonal reactivity of its nitrile, fluorine, and trifluoromethyl substituents.

Key physicochemical parameters include:

Molecular Formula: C₈H₃F₄N
Molecular Weight: 189.11 g/mol
CAS Number: 67515-59-7
EINECS Number: 266-715-4
MDL Number: MFCD00061284
Synonyms: 4-Fluoro-3-(trifluoromethyl)benzonitrile; 2-Fluoro-5-cyanobenzotrifluoride; α,α,α,4-Tetrafluoro-m-tolunitrile; 4-Fluoro-3-(trifluoromethyl)benzenecarbonitrile
IUPAC Name: 4-fluoro-3-(trifluoromethyl)benzonitrile
SMILES: C1=CC(=C(C=C1C#N)C(F)(F)F)F
InChIKey: CQZQCORFYSSCFY-UHFFFAOYSA-N
Appearance: White to almost white crystalline powder or solid
Purity: ≥98% (GC); ≥99% available
Melting Point: 66–70°C
Boiling Point: 195°C; 202.5 ± 35.0°C at 760 mmHg (predicted)
Density: 1.4 g/cm³
Refractive Index: n20D 1.44
Flash Point: 68°C
LogP (consensus): ~2.99
Topological Polar Surface Area: 23.8 Å²
Solubility: Insoluble in water; soluble in methanol, ethanol, ether, methylene chloride
Storage: 2–8°C, sealed, protect from light and moisture
GHS Classification: Danger; H301+H311+H331 (Toxic if swallowed, in contact with skin or if inhaled), H315 (Causes skin irritation), H319 (Causes serious eye irritation)
Transport Classification: UN 3439 (Nitriles, toxic, solid, n.o.s.), Class 6.1, Packing Group III
HS Code: 29269090

The compound’s reactivity is defined by its three orthogonal handles: the nitrile group at C1 enables hydrolysis to carboxylic acid, reduction to amine, and cyclization to heterocycles; the fluorine atom at C4 activates the aromatic ring toward nucleophilic aromatic substitution (SNAr) and serves as a site for palladium-catalyzed cross-coupling reactions (Suzuki-Miyaura, Buchwald-Hartwig); and the trifluoromethyl group at C3 provides strong electron-withdrawing character that modulates the electronic environment of the ring and enhances the lipophilicity and metabolic stability of downstream derivatives. The 4-fluoro-3-trifluoromethyl substitution pattern creates a distinct electronic environment and steric profile that directly influences reactivity in key transformations like SNAr and cross-couplings. The crystalline solid form at ambient temperature simplifies purification by recrystallization and storage.

Major Market Participants

The global supply system for 5-cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) features a pattern of “specialized fluorochemical manufacturers, multinational research chemical distributors, and Chinese producers serving distinct market segments.” As a specialized fluorinated benzonitrile 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 Tokyo Chemical Industry (TCI), offering the compound at >98.0% purity (GC) under product code F0979, with specifications including white to almost white powder to crystal appearance, melting point of 66.0–70.0°C, boiling point of 195°C, and solubility in methanol, with storage at room temperature (recommended in a cool and dark place, <15°C) and GHS classification as Danger (H301+H311+H331). Thermo Fisher Scientific (Alfa Aesar) offers the compound at 98+% purity under catalog number AAA15439-06, with a melting point of 67–69°C and use as a pharmaceutical intermediate. Chem-Impex International offers the compound at ≥98% (GC) purity under catalog number 46081, with a molecular weight of 189.11 g/mol, melting point of 66–70°C, and storage conditions at 2–8°C, describing it as widely utilized in pharmaceutical development, agricultural chemicals, material science, and analytical chemistry. Santa Cruz Biotechnology offers the compound as 5-Cyano-2-fluorobenzotrifluoride under catalog number sc-262587 (5 g packaging). AK Scientific (AKSci) offers the compound under product code X8883. BenchChem offers the compound at ≥98% purity under catalog number B1295485 with standard pack sizes of 5 g, 25 g, 100 g, and bulk custom, emphasizing its role in providing the precise 4-F, 3-CF₃ substitution pattern essential for potent TrkA inhibitors (IC₅₀ 1.95–4.20 nM). CymitQuimica offers the compound under CAS 67515-59-7. EvitaChem offers the compound under catalog number EVT-306714 for non-human research use only. Aromsyn offers the compound at >97% purity under CAS 67515-59-7 with molecular formula C₈H₃F₄N and molecular weight 189.111. 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 5-cyano-2-fluorobenzotrifluoride from China, offering the compound with stringent quality standards for use in TrkA kinase inhibitor synthesis, CNS therapeutic development, and agrochemical manufacturing. XinChem provides the compound as a white to almost white crystalline solid 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 the compound is a colorless to pale yellow crystalline solid, insoluble in water at room temperature but soluble in organic solvents such as ethanol, ether, and methylene chloride, and is toxic to certain insects, fungi, and bacteria, with herbicidal effects. XinChem offers custom synthesis and contract manufacturing with flexible scaling from R&D to commercial quantities. Other Chinese suppliers include Bide Pharmatech (毕得医药), offering the compound at 98% purity under catalog number BD104632 with batch quality inspection reports (NMR, HPLC, GC). Shanghai Aladdin Biochemical Technology (阿拉丁) offers the compound under CAS 67515-59-7. Macklin (麦克林) offers the compound at 98% purity under product code F810050. Aromsyn (奥利司) offers the compound at >97% purity as a specialized manufacturer of high-purity fluorinated intermediates. Bouling Chemical (博凌化工) offers the compound as an accredited factory with strict quality protocols, every batch undergoing rigorous testing to ensure consistent efficacy and safety standards. Chinese suppliers offer the compound at various purity grades (typically 97–99%) and packaging options—from 5 g to 100 g and bulk quantities—serving both domestic and export markets.

Regional Market Dynamics

The global 5-cyano-2-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, agrochemical, and materials science industries in these regions. According to the Global Market Report of 5-Cyano-2-fluorobenzotrifluoride (CAS 67515-59-7), comprehensive data is available globally and regionally covering Europe, Asia, North America, and Latin America, including market trends, manufacturers, consumers, production situation, supply and demand analysis, price analysis, and import/export situation, with forecasts extending through 2029.

The Asia-Pacific region has emerged as a significant production hub for 5-cyano-2-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 agrochemical industries. Chinese suppliers offer the compound at various purity grades (typically 97–99%) and packaging options, serving both domestic and export markets. The growing pharmaceutical R&D, TrkA inhibitor development, and agrochemical sectors in China, India, Japan, and South Korea continue to drive regional consumption growth. The compound is classified as a pharmaceutical intermediate and organic synthesis intermediate in the Chinese market, with multiple suppliers offering the product in packaging sizes ranging from 5 g to 100 g and bulk quantities.

North America remains a key market for high-purity and research-grade 5-cyano-2-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 fluorinated benzonitrile building blocks for TrkA inhibitor development, CNS therapeutic discovery, and kinase inhibitor drug discovery. Thermo Fisher Scientific, Chem-Impex International, Santa Cruz Biotechnology, and AK Scientific serve the North American market with extensive distribution networks. The region’s well-established regulatory framework, including FDA oversight of pharmaceutical R&D, 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 chemical research. European pharmaceutical companies, agrochemical developers, and research institutions demand high-purity fluorinated benzonitrile building blocks with comprehensive documentation. CymitQuimica serves the European market with in-stock availability. The compound is registered under REACH with EINECS number 266-715-4. The region’s strong pharmaceutical and biotechnology sectors support steady demand for high-quality fluorinated intermediates.

Japan represents a specialized market where 5-cyano-2-fluorobenzotrifluoride is supplied by Tokyo Chemical Industry (TCI) and other distributors for pharmaceutical research, kinase inhibitor development, and fine chemical applications.

Regulatory and Safety Considerations

As a toxic fluorinated benzonitrile intermediate, 5-cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) is subject to regulatory oversight in major global economies. Compliance with relevant regulations is essential for market access and trade.

GHS classification and handling: 5-Cyano-2-fluorobenzotrifluoride is classified with the signal word “Danger”. Hazard statements include H301+H311+H331 (Toxic if swallowed, in contact with skin or if inhaled), H315 (Causes skin irritation), and H319 (Causes serious eye irritation). The compound is classified as Acute Tox. 3 (Oral) , Acute Tox. 3 (Dermal) , Acute Tox. 3 (Inhalation) , Skin Irrit. 2, and Eye Irrit. 2. Precautionary statements include P261 (Avoid breathing dust/fume/gas/mist/vapours/spray), P270 (Do not eat, drink or smoke when using this product), P271 (Use only outdoors or in a well-ventilated area), P264 (Wash skin thoroughly after handling), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P301+P310+P330 (IF SWALLOWED: Immediately call a POISON CENTER/doctor; rinse mouth), P302+P352+P312 (IF ON SKIN: Wash with plenty of water; call a POISON CENTER/doctor if you feel unwell), P304+P340+P311 (IF INHALED: Remove person to fresh air and keep comfortable for breathing; call a POISON CENTER/doctor), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; continue rinsing), P332+P313 (If skin irritation occurs: Get medical advice/attention), P337+P313 (If eye irritation persists: Get medical advice/attention), P361+P364 (Take off immediately all contaminated clothing and wash it before reuse), P403+P233 (Store in a well-ventilated place; keep container tightly closed), P405 (Store locked up), and P501 (Dispose of contents/container to an approved waste disposal plant). The compound should be stored at 2–8°C (or room temperature in a cool and dark place, <15°C recommended) in a tightly sealed container protected from light and moisture. Personal protective equipment including chemical-resistant gloves, protective clothing, 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: 5-Cyano-2-fluorobenzotrifluoride should be stored at 2–8°C (or room temperature in a cool and dark place, <15°C recommended) in a tightly sealed container protected from light and moisture. The compound is stable under recommended storage conditions but should be kept away from strong oxidizing agents, strong acids, and bases. Shelf life is typically 2 years when stored properly.

Regulatory compliance: In the European Union, the compound must comply with REACH registration requirements for import and use. The compound has an EINECS number of 266-715-4 and an MDL number of MFCD00061284. Manufacturers and suppliers must provide comprehensive Safety Data Sheets (SDS) and maintain appropriate documentation. In the United States, 5-cyano-2-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 and is not DEA-regulated.

Transport information: 5-Cyano-2-fluorobenzotrifluoride is classified as a dangerous good for international transport under UN 3439 (Nitriles, toxic, solid, n.o.s.), Hazard Class 6.1, Packing Group III. Proper packaging, labeling, and documentation are required for shipping in compliance with the International Maritime Dangerous Goods Code (IMDG Code) and IATA/ADR standards for toxic materials. The HS code for the compound is 29269090 (nitrile-function compounds). The compound is typically shipped at ambient temperature with appropriate protection from light and moisture, accompanied by safety documents and appropriate labeling.

Future Outlook

The market outlook for 5-cyano-2-fluorobenzotrifluoride is positive, supported by several key growth drivers across its major application segments. While the compound remains a relatively specialized fluorinated benzonitrile building block, its essential role in potent TrkA inhibitor synthesis and its utility in CNS therapeutic and agrochemical development position it for steady growth in the coming years.

Key growth drivers include:

Expansion of TrkA kinase inhibitor R&D: The continued development of TrkA inhibitors for pain, inflammation, and oncology drives demand for precision 4-F, 3-CF₃-substituted building blocks that enable high potency (IC₅₀ 1.95–4.20 nM). Regioisomeric impurities in fluorinated benzonitriles derail kinase inhibitor campaigns, making the exact substitution pattern of 5-cyano-2-fluorobenzotrifluoride essential for reproducible synthesis outcomes.
Growth in CNS therapeutic development: The increasing demand for treatments for neurological disorders—including pain management, neurodegenerative diseases, and psychiatric disorders—drives consumption of 5-cyano-2-fluorobenzotrifluoride as a key intermediate for CNS-active compounds. The compound’s favorable LogP (~2.99) and topological polar surface area (23.8 Å²) support blood-brain barrier penetration, a critical requirement for CNS therapeutics.
Expansion of agrochemical development: The growing global demand for novel pesticides and herbicides—driven by increasing food production needs and the development of more selective, environmentally friendly agrochemicals—supports consumption of 5-cyano-2-fluorobenzotrifluoride as a key intermediate for agrochemical active ingredients. The compound exhibits toxic effects against certain insects, fungi, and bacteria, with herbicidal activity.
Increasing focus on fluorinated building blocks in drug discovery: The growing emphasis on fluorine incorporation in drug design—approximately 20–25% of marketed pharmaceuticals contain fluorine—drives demand for versatile fluorinated benzonitrile building blocks. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the fluorine atom enables SNAr and cross-coupling for late-stage functionalization.
Growth in specialty materials and analytical applications: The expanding market for specialty polymers, coatings, and adhesives with improved thermal stability and chemical resistance creates additional opportunities for the compound as a fluorinated building block for materials science applications.

Challenges and considerations:

Toxicological risks: The compound’s classification as Acute Tox. 3 (H301+H311+H331) requires strict safety measures during handling and storage, and may limit its use in some applications.
Regulatory compliance: Increasingly stringent pharmaceutical and chemical regulations may require ongoing investment in quality systems and documentation.
Competition from alternative building blocks: The market faces competition from other fluorinated benzonitrile regioisomers (e.g., 3-fluoro-4-(trifluoromethyl)benzonitrile) and alternative intermediates with similar reactivity profiles. The 4-fluoro-3-trifluoromethyl substitution pattern creates a distinct electronic environment that cannot be readily substituted without introducing quantifiable liabilities in reactivity and biological activity.
Limited scale: As a specialized fluorinated benzonitrile building block, the market for 5-cyano-2-fluorobenzotrifluoride is smaller than that of commodity chemicals.

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, agrochemical, and materials science 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 fine chemical industries. Leveraging extensive experience and advanced manufacturing capabilities, XinChem provides high-quality 5-Cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) 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, agrochemical developers, and research institutions seeking this versatile precision fluorinated benzonitrile 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 5-cyano-2-fluorobenzotrifluoride products. The production process incorporates established synthetic routes—including the diazotization of 3-trifluoromethyl-4-haloaniline followed by cyanation with potassium ferrocyanide in the presence of copper acetate and ethylenediamine—enabling the delivery of products with purity ≥98% (GC) and ≥99% (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 TrkA kinase inhibitor synthesis, CNS therapeutic development, 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), melting point (66–70°C), density (1.4 g/cm³), refractive index (n20D 1.44), 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 5-cyano-2-fluorobenzotrifluoride with purity ≥98% (GC) and ≥99% (GC) available, ensuring optimal performance in TrkA kinase inhibitor synthesis, CNS therapeutic development, 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 pharmaceutical manufacturing. The compound is supplied as a white to almost white crystalline powder with consistent appearance and defined melting point specifications (66–70°C).

Comprehensive Specifications
Key specifications include:

Molecular Formula: C₈H₃F₄N
Molecular Weight: 189.11 g/mol
CAS Number: 67515-59-7
EINECS Number: 266-715-4
Synonyms: 4-Fluoro-3-(trifluoromethyl)benzonitrile; 2-Fluoro-5-cyanobenzotrifluoride; α,α,α,4-Tetrafluoro-m-tolunitrile
MDL Number: MFCD00061284
Appearance: White to almost white crystalline powder or solid
Purity: ≥98% (GC) / ≥99% (GC) available
Melting Point: 66–70°C
Boiling Point: 195°C; 202.5 ± 35.0°C at 760 mmHg (predicted)
Density: 1.4 g/cm³
Refractive Index: n20D 1.44
Flash Point: 68°C
LogP (consensus): ~2.99
Topological Polar Surface Area: 23.8 Å²
Solubility: Insoluble in water; soluble in methanol, ethanol, ether, methylene chloride
Storage: 2–8°C, sealed, protect from light and moisture
GHS Classification: Danger; H301+H311+H331, H315, H319
Transport Classification: UN 3439, Class 6.1, Packing Group III
HS Code: 29269090

Flexible Packaging Solutions
XinChem provides a range of packaging options to accommodate diverse customer needs, from laboratory-scale quantities (5 g, 25 g, 100 g) to industrial-scale packaging (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 light and moisture.

3. Application Fields

As a precision fluorinated benzonitrile building block, 5-Cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7) exhibits wide application value across multiple industries:

Pharmaceutical R&D and Kinase Inhibitor Synthesis:

Critical building block for potent TrkA kinase inhibitors (IC₅₀ 1.95–4.20 nM)
Key intermediate for anti-inflammatory and anti-cancer drugs
Building block for CNS-active compounds (LogP ~2.99, TPSA 23.8 Å²)
Precursor for kinase inhibitor libraries targeting pain, inflammation, and oncology
Intermediate for neurological disorder drug development

Agrochemical Development:

Key intermediate for pesticides and herbicides
Building block for agrochemical active ingredients with improved efficacy and environmental profiles
Precursor for crop protection agents with insecticidal, fungicidal, and herbicidal activities

Specialty Materials and Analytical Applications:

Intermediate for specialty polymers and materials with improved thermal stability and chemical resistance
Building block for coatings and adhesives
Standard for analytical techniques such as chromatography
Reagent for studying fluorinated compounds and green chemistry

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 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 3439, Class 6.1, PG III), customs clearance, and documentation, with appropriate temperature control (2–8°C) 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 benzonitrile synthesis and supply.
Quality: Rigorous quality control, high purity (≥98% to ≥99%), 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 Precision Fluorinated Benzonitrile Building Block for Potent TrkA Kinase Inhibitors, CNS Therapeutics, and Advanced Agrochemicals: 5-Cyano-2-fluorobenzotrifluoride (CAS# 67515-59-7)