The Dual-Reactive Aroyl Nitrile Building Block for Herbicides, Fungicides, and Lamotrigine Impurity Standards: 2,3-Dichlorobenzoyl Cyanide (CAS# 77668-42-9)

2,3-Dichlorobenzoyl cyanide (CAS# 77668-42-9), also known as 2,3-dichloro-α-oxobenzeneacetonitrile, 2-(2,3-dichlorophenyl)-2-oxoacetonitrile, or 2,3-dichlorobenzoyl nitrile, is a dual-reactive aroyl nitrile with the molecular formula C₈H₃Cl₂NO and a molecular weight of 200.02 g/mol. Its molecular structure features a benzene ring bearing two chlorine atoms at the 2- and 3-positions, with an α-oxo nitrile group (–COCN) attached at the 1-position. This unique architecture—combining an electrophilic aroyl carbonyl with a nitrile functionality and two electron-withdrawing chlorine substituents—confers exceptional versatility as a synthetic building block for agrochemical and pharmaceutical development.

As a white to pale yellow crystalline solid with a melting point of 58–61°C, a boiling point of 309°C at 760 mmHg, a density of 1.446 g/mL, and a flash point of 141°C, the compound is soluble in common organic solvents but has limited aqueous solubility. It is typically supplied at ≥95% to ≥98% purity (GC/HPLC) and should be stored in a cool, dry place protected from moisture and light. Under GHS, it is classified with the signal word “Warning” and requires standard laboratory safety precautions during handling.

2,3-Dichlorobenzoyl cyanide is a strategically important dual-reactive building block that serves as a key intermediate in the synthesis of herbicides, fungicides, and insecticides, as well as an analytically critical impurity reference standard for Lamotrigine (an anticonvulsant used in the treatment of epilepsy and bipolar disorder). The compound’s aroyl nitrile functionality enables diverse transformations—nucleophilic addition to the carbonyl, nitrile hydrolysis, and cyclization reactions—while the 2,3-dichloro substitution pattern provides steric and electronic modulation essential for the biological activity of downstream agrochemical and pharmaceutical products. 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 aroyl nitrile building block.

Core Application Fields and Demand

Market demand for 2,3-dichlorobenzoyl cyanide (CAS# 77668-42-9) is concentrated in three primary sectors: agrochemical synthesis and crop protection (approximately 50–55% of global consumption), pharmaceutical intermediate manufacturing and impurity standards (approximately 25–30%), and organic synthesis and specialty chemicals (approximately 15–20%). Its dual-reactive aroyl nitrile functionality and the unique electronic properties conferred by the 2,3-dichloro substitution pattern serve as the core drivers of sustained demand growth.

In agrochemical synthesis and crop protection, 2,3-dichlorobenzoyl cyanide is a fundamental building block for developing novel herbicides and pesticides. It is used as a key intermediate in the synthesis of a variety of herbicides, fungicides, and insecticides that protect crops from pests and increase yields, contributing to food security and sustainable agriculture. The dichloro substitution pattern enhances herbicidal and fungicidal activity by modulating lipophilicity and target binding affinity. The compound is also employed in the synthesis of substituted cyclic amides and their use as herbicides, as disclosed in international patent applications. The aroyl nitrile group enables the construction of diverse heterocyclic scaffolds—including pyridazinones, pyrimidinones, and other cyclic amide herbicides—through cyclization reactions with hydrazines, amidines, and other bifunctional nucleophiles.

In pharmaceutical intermediate manufacturing and impurity standards, 2,3-dichlorobenzoyl cyanide serves as a critical intermediate for the synthesis of several drug classes, including anti-inflammatory agents, antimicrobial agents, and anticancer drugs. Most notably, the compound is an impurity of Lamotrigine (L173250) —an anticonvulsant used in the treatment of epilepsy and bipolar disorder—and is employed as an analytically critical impurity reference standard for pharmaceutical quality control. The availability of this compound as a well-characterized impurity standard is essential for method development, validation, and regulatory compliance in Lamotrigine manufacturing. Its defined structure and high purity make it suitable for use in HPLC and LC-MS method development, validation, and quality control.

In organic synthesis and specialty chemicals, 2,3-dichlorobenzoyl cyanide serves as a versatile acylating agent and building block for constructing complex molecular architectures. The compound reacts with alcohols and amines to form esters and amides, respectively, and can participate in nucleophilic addition reactions at the carbonyl and nitrile groups. It is used as a reagent in organic synthesis for the preparation of functionalized aromatic compounds, heterocycles, and specialty materials.

Key Properties and Reactivity Profile

2,3-Dichlorobenzoyl cyanide (CAS# 77668-42-9) is a dual-reactive aroyl nitrile whose value derives from the orthogonal reactivity of its aroyl carbonyl and nitrile functionalities.

Key physicochemical parameters include:

• Molecular Formula: C₈H₃Cl₂NO
• Molecular Weight: 200.02 g/mol
• CAS Number: 77668-42-9
• EINECS Number: 278-747-9
• MDL Number: MFCD00792559
• Synonyms: 2,3-Dichloro-α-oxobenzeneacetonitrile; 2-(2,3-Dichlorophenyl)-2-oxoacetonitrile; 2,3-Dichlorobenzoyl nitrile; (2,3-Dichlorophenyl)(oxo)acetonitrile
• IUPAC Name: 2,3-dichloro-α-oxobenzeneacetonitrile
• Appearance: White to pale yellow crystalline solid
• Purity: ≥95% (GC); ≥98% (GC/HPLC) available
• Melting Point: 58–61°C (literature values vary; 52–53°C reported in some sources)
• Boiling Point: 309°C at 760 mmHg (309.4±32.0°C predicted)
• Density: 1.446 g/mL
• Flash Point: 141°C (140.9±25.1°C predicted)
• LogP: 2.70 (calculated)
• Polar Surface Area: 40.86 Ų
• Solubility: Soluble in common organic solvents; limited aqueous solubility
• Storage: Cool, dry place, protected from moisture and light; long-term storage at −18°C recommended for reference standards
• GHS Classification: Warning; Xi (Irritant)
• Hazard Symbols: Xi – Irritant
• HS Code: 2926909090 (China export); 2926907090 (UK commodity code)
• Transport Classification: Not classified as hazardous material for DOT/IATA transport

The compound’s reactivity is defined by its two orthogonal handles: the aroyl carbonyl group enables nucleophilic addition, condensation, and cyclization reactions, while the nitrile functionality provides a site for hydrolysis (to carboxylic acid), reduction (to amine), and cyclization (to heterocycles). The 2,3-dichloro substitution pattern modulates the electronic environment of the aroyl group, enhancing its electrophilicity and influencing the regioselectivity of subsequent transformations. The compound is a versatile acylating agent that reacts with alcohols and amines to form the corresponding esters and amides, and it can serve as a precursor to diverse heterocyclic systems including pyridazinones and pyrimidinones through cyclocondensation with bifunctional nucleophiles.

Major Market Participants

The global supply system for 2,3-dichlorobenzoyl cyanide (CAS# 77668-42-9) features a pattern of “specialized fine chemical manufacturers, multinational research chemical distributors, and Chinese producers serving distinct market segments.” As a specialized aroyl nitrile building block rather than a bulk commodity, the market is characterized by a moderate number of suppliers catering to agrochemical R&D, pharmaceutical manufacturing, and organic synthesis.

In the global research and high-purity segment, key international suppliers include LGC Standards, offering the compound as a certified reference material under product code MM0922.08-0025 with purity determined by HPLC at 96.96%, and recommended long-term storage at −18°C. AK Scientific (AKSci) offers the compound at 98% (GC) purity under product code K359 and at 95% purity under product code J50793, with all products stocked and shipped from the SF Bay Area, California. Apollo Scientific (UK) offers the compound at 98+% purity under catalogue number OR0344 with a commodity code of 2926907090. CymitQuimica offers the compound at 95% and 98% purity grades with pricing from €29.00 for 1 g to €3,601.00 for 2.5 kg. BenchChem offers the compound for research applications. Capot Chemical offers the compound with moisture content ≤0.5% under catalog number 14364. BOC Sciences offers the compound as a Lamotrigine impurity standard with purity >95% and appearance as a white to off-white solid. These suppliers serve the agrochemical, pharmaceutical, 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 2,3-dichlorobenzoyl cyanide from China, offering the compound with stringent quality standards for use in herbicide and fungicide synthesis, Lamotrigine impurity standards, and pharmaceutical intermediate manufacturing. XinChem provides the compound as a white to pale yellow crystalline solid with comprehensive quality documentation, batch-specific Certificates of Analysis (COA), customizable packaging, and globally compliant REACH, ISO 9001, and GMP-aligned manufacturing. Other Chinese suppliers include Hangzhou Verychem Science and Technology (杭州维康科技有限公司), a chemical manufacturer since 2004 with production bases in Jiangsu, Jiangxi, Hubei, Hunan, and Henan provinces, operating in accordance with ISO and GMP ICH Q7 standards. Wuhan Kemike Biomedical Technology (武汉克米克生物医药技术有限公司) offers the compound as a flagship product at 99% purity in 25 kg cardboard drums for organic raw material synthesis. Shandong Chongcheng Energy Technology (山东崇成能源科技有限公司) offers the compound for industrial applications. Jiangsu Xinsu New Material (江苏新素新材料有限公司) offers the compound at 99.9% purity under the brand “Senfeida” (森菲达). Shanghai Aladdin Biochemical Technology offers the compound under catalog number D3935. Bide Pharmatech (毕得医药) offers the compound with batch quality inspection reports (NMR, HPLC, GC). Suzhou Aijia Pharmaceutical Technology (苏州艾佳医药科技有限公司) offers the compound under product number AJA-O2047. Jiangsu Beida Pharmaceutical Technology (江苏倍达医药科技有限公司) offers the compound for pharmaceutical applications. Chinese suppliers offer the compound at various purity grades (typically 95–99.9%) and packaging options—from grams to multi-kilogram quantities—serving both domestic and export markets.

Regional Market Dynamics

The global 2,3-dichlorobenzoyl cyanide 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 agrochemical, pharmaceutical, and specialty chemical industries in these regions.

The Asia-Pacific region has emerged as a significant production hub for 2,3-dichlorobenzoyl cyanide, 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 agrochemical and pharmaceutical industries. Chinese suppliers offer the compound at various purity grades (typically 95–99.9%) and packaging options, serving both domestic and export markets. The growing agrochemical R&D, pharmaceutical manufacturing, and specialty chemical sectors in China, India, Japan, and South Korea continue to drive regional consumption growth. The compound is classified as a pharmaceutical intermediate and agrochemical intermediate in the Chinese market, with multiple suppliers offering the product in packaging sizes ranging from grams to 25 kg.

North America remains a key market for high-purity and research-grade 2,3-dichlorobenzoyl cyanide, driven by demand from the agrochemical industry, pharmaceutical companies, and academic research institutions. The United States hosts numerous research organizations, pharmaceutical companies, and agrochemical developers that require high-quality aroyl nitrile building blocks for herbicide and fungicide development, Lamotrigine impurity standard preparation, and pharmaceutical intermediate synthesis. AK Scientific, BOC Sciences, and BenchChem serve the North American market with extensive distribution networks. The region’s well-established regulatory framework, including EPA oversight of agrochemical intermediates and FDA regulations for pharmaceutical impurity standards, 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 agrochemical and pharmaceutical applications. European agrochemical companies, pharmaceutical manufacturers, and research institutions demand high-purity aroyl nitrile intermediates with comprehensive documentation. Apollo Scientific (UK), LGC Standards (UK), and CymitQuimica serve the European market with in-stock availability. The compound is registered under REACH with EINECS number 278-747-9.

Japan represents a specialized market where 2,3-dichlorobenzoyl cyanide is supplied for agrochemical research, pharmaceutical development, and fine chemical applications.

Regulatory and Safety Considerations

As a chlorinated aroyl nitrile intermediate with applications in agrochemical and pharmaceutical synthesis, 2,3-dichlorobenzoyl cyanide (CAS# 77668-42-9) is subject to regulatory oversight in major global economies. Compliance with relevant regulations is essential for market access and trade.

GHS classification and handling: 2,3-Dichlorobenzoyl cyanide is classified with the signal word “Warning” . The compound is classified as an irritant (Xi) with risk codes including 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), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P302+P352 (IF ON SKIN: Wash with plenty of soap and 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 P501 (Dispose of contents/container to an approved waste disposal plant). Personal protective equipment including lab gloves, safety glasses, and a lab coat should be worn during handling, and operations should be conducted in a well-ventilated environment.

Storage and stability: 2,3-Dichlorobenzoyl cyanide should be stored in a cool, dry place protected from moisture and light. For long-term storage of reference material, a temperature of −18°C is recommended. The compound is stable under recommended storage conditions but should be kept away from strong oxidizing agents and bases.

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 278-747-9. Manufacturers and suppliers must provide comprehensive Safety Data Sheets (SDS) and maintain appropriate documentation. In the United States, 2,3-dichlorobenzoyl cyanide is intended for research and development use only and is not intended for therapeutic, food, cosmetic, or consumer applications unless explicitly stated otherwise. For agrochemical intermediate applications, manufacturers must comply with relevant EPA regulations and quality standards. For pharmaceutical impurity standard applications, the compound must meet ICH Q3A/Q3B requirements for impurity standards. The compound is not a controlled substance.

Transport information: 2,3-Dichlorobenzoyl cyanide is not classified as hazardous material for DOT/IATA transport purposes. Proper packaging, labeling, and documentation are nevertheless required for international shipping. The HS code for the compound is 2926909090 (China export) and 2926907090 (UK commodity code). The compound is typically shipped at ambient temperature with appropriate protection from moisture and light.

Future Outlook

The market outlook for 2,3-dichlorobenzoyl cyanide is positive, supported by several key growth drivers across its major application segments. While the compound remains a relatively specialized aroyl nitrile building block, its dual-reactive functionality and essential role in agrochemical and pharmaceutical development position it for steady growth in the coming years.

Key growth drivers include:

1. Expansion of agrochemical development: The growing global demand for novel herbicides, fungicides, and insecticides—driven by increasing food production needs and the development of more selective, environmentally friendly crop protection agents—supports consumption of 2,3-dichlorobenzoyl cyanide as a key intermediate for agrochemical active ingredients. The 2,3-dichloro substitution pattern enhances herbicidal and fungicidal activity, making the compound valuable for developing next-generation pesticides.
2. Growth in pharmaceutical impurity standard requirements: The increasing stringency of pharmaceutical quality control requirements, particularly ICH Q3A/Q3B compliance for Lamotrigine manufacturing, drives demand for well-characterized impurity reference standards. 2,3-Dichlorobenzoyl cyanide serves as an analytically critical impurity standard for Lamotrigine, ensuring consistent demand from pharmaceutical quality control laboratories.
3. Expansion of pharmaceutical R&D: The growing emphasis on developing anti-inflammatory, antimicrobial, and anticancer drugs drives demand for versatile aroyl nitrile building blocks that enable the construction of diverse molecular architectures.
4. Increasing focus on structure-activity relationship (SAR) studies: The compound’s utility as a privileged building block for agrochemical and pharmaceutical discovery supports the growing adoption of SAR studies, enabling rapid diversification of molecular architectures through the aroyl nitrile handle.
5. Growth in specialty chemicals and organic synthesis: The expanding market for functionalized aromatic compounds, heterocycles, and specialty materials creates additional opportunities for the compound as a versatile acylating agent and synthetic intermediate.

Challenges and considerations:

• Limited scale: As a specialized aroyl nitrile intermediate, the market for 2,3-dichlorobenzoyl cyanide is smaller than that of commodity chemicals.
• Competition from alternative building blocks: The market faces competition from other chlorinated benzoyl nitriles and alternative aroyl cyanide intermediates with similar reactivity profiles.
• Regulatory compliance: Increasingly stringent agrochemical and pharmaceutical regulations may require ongoing investment in quality systems and documentation.
• Handling requirements: The compound’s classification as an irritant (Xi) requires appropriate safety measures during handling and storage.

To succeed in this evolving market landscape, suppliers must focus on product quality (particularly 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 agrochemical, pharmaceutical, and organic synthesis applications will be well-positioned to capture growing demand.

Shanghai XinChem Co., Ltd. (XinChem)

As a world-leading supplier of organic chemicals and specialty intermediates, Shanghai XinChem Co., Ltd. (XinChem) is dedicated to meeting the innovative needs of the agrochemical, pharmaceutical, and fine chemical industries. Leveraging extensive experience and advanced manufacturing capabilities, XinChem provides high-quality 2,3-Dichlorobenzoyl Cyanide (CAS# 77668-42-9) 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 agrochemical companies, pharmaceutical manufacturers, and research institutions seeking this versatile dual-reactive aroyl nitrile 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 2,3-dichlorobenzoyl cyanide products. The production process incorporates established synthetic routes—including the reaction of 2,3-dichlorobenzoyl chloride with cuprous cyanide in acetonitrile, and other optimized cyanidation methods—enabling the delivery of products with purity ≥95% (GC), ≥98% (GC/HPLC), and ≥99% available 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 herbicide and fungicide synthesis, Lamotrigine impurity standard preparation, and pharmaceutical intermediate 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/HPLC), melting point (58–61°C), density (1.446 g/mL), moisture content (≤0.5%), 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 2,3-dichlorobenzoyl cyanide with purity ≥95% (GC), ≥98% (GC/HPLC), and ≥99% available, ensuring optimal performance in agrochemical synthesis, pharmaceutical intermediate manufacturing, and impurity standard preparation. The product’s high purity minimizes the risk of unwanted side reactions and impurities, making it suitable for demanding applications in herbicide and fungicide development, Lamotrigine quality control, and drug discovery. The compound is supplied as a white to pale yellow crystalline solid with consistent appearance and defined melting point specifications.

Comprehensive Specifications
Key specifications include:

• Molecular Formula: C₈H₃Cl₂NO
• Molecular Weight: 200.02 g/mol
• CAS Number: 77668-42-9
• EINECS Number: 278-747-9
• Synonyms: 2,3-Dichloro-α-oxobenzeneacetonitrile; 2-(2,3-Dichlorophenyl)-2-oxoacetonitrile; 2,3-Dichlorobenzoyl nitrile
• MDL Number: MFCD00792559
• Appearance: White to pale yellow crystalline solid
• Purity: ≥95% (GC) / ≥98% (GC/HPLC) / ≥99% available
• Melting Point: 58–61°C
• Boiling Point: 309°C at 760 mmHg
• Density: 1.446 g/mL
• Flash Point: 141°C
• LogP: 2.70
• Solubility: Soluble in common organic solvents
• Storage: Cool, dry place, protected from moisture and light
• GHS Classification: Warning; Xi (Irritant)
• HS Code: 2926909090

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 versatile dual-reactive aroyl nitrile building block, 2,3-Dichlorobenzoyl Cyanide (CAS# 77668-42-9) exhibits wide application value across multiple industries:

Agrochemical Synthesis and Crop Protection:

• Key intermediate for the synthesis of herbicides, fungicides, and insecticides
• Building block for substituted cyclic amide herbicides (pyridazinones, pyrimidinones)
• Precursor for crop protection agents with enhanced lipophilicity and target binding affinity
• Intermediate for agrochemical active ingredients with improved efficacy and environmental profiles

Pharmaceutical Intermediate Manufacturing:

• Impurity of Lamotrigine (L173250), an anticonvulsant for epilepsy and bipolar disorder
• Impurity reference standard for pharmaceutical quality control and analytical method validation
• Key intermediate for anti-inflammatory agents, antimicrobial agents, and anticancer drugs
• Building block for the synthesis of diverse pharmaceutical scaffolds

Organic Synthesis and Specialty Chemicals:

• Versatile acylating agent for the synthesis of esters and amides from alcohols and amines
• Precursor for functionalized aromatic compounds and heterocycles
• Building block for specialty materials and fine chemicals
• Reagent for nucleophilic addition and cyclization reactions

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 cyclization conditions for herbicide intermediate synthesis, or assistance with regulatory documentation for pharmaceutical impurity standards, 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 customs clearance and documentation, with appropriate protection from moisture and light 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, EPA, and other regional regulations, helping customers navigate the complexities of global trade.

5. Reasons to Choose XinChem

• Professionalism: Extensive experience and deep expertise in aroyl nitrile synthesis and supply.
• Quality: Rigorous quality control, high purity (≥95% to ≥99%), 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.

Contact us today to start your partnership with XinChem!

Website: www.xinchem.com

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