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Benzoylacetonitrile

    • Product Name Benzoylacetonitrile
    • Alias 4-oxo-4-phenylbutanenitrile
    • Einecs 210-251-4
    • Mininmum Order 1 g
    • Factory Site Tengfei Creation Center,55 Jiangjun Avenue, Jiangning District,Nanjing
    • Price Inquiry admin@sinochem-nanjing.com
    • Manufacturer Sinochem Nanjing Corporation
    • CONTACT NOW
    VTB
    Specifications

    HS Code

    587550

    Iupac Name 3-oxo-3-phenylpropanenitrile
    Cas Number 613-46-7
    Molecular Formula C9H7NO
    Molar Mass 145.16 g/mol
    Appearance White to pale yellow powder
    Melting Point 54-58 °C
    Boiling Point 327-330 °C
    Density 1.18 g/cm³
    Solubility In Water Slightly soluble
    Smiles C1=CC=CC=C1C(=O)CC#N

    As an accredited Benzoylacetonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Benzoylacetonitrile is packaged in a 100g amber glass bottle, labeled with hazard symbols, product details, and safety information.
    Shipping Benzoylacetonitrile should be shipped in tightly sealed containers, protected from moisture and direct sunlight. It must comply with relevant chemical transport regulations, including appropriate labeling as a hazardous material if required. Handle with care, avoiding excessive heat or physical shock. Ensure compliance with both international and local shipping guidelines for chemicals.
    Storage Benzoylacetonitrile should be stored in a cool, dry, and well-ventilated area, away from heat, ignition sources, and incompatible substances such as strong oxidizers. Keep the container tightly closed and protected from direct sunlight. Store in a chemical-resistant, clearly labeled container and avoid moisture exposure. Ensure spill containment measures are in place and access is restricted to trained personnel.
    Application of Benzoylacetonitrile

    Applications of Benzoylacetonitrile in Industrial Manufacturing

    Benzoylacetonitrile serves as a critical intermediate in the synthesis and processing operations of several downstream sectors. By integrating directly into advanced chemical production lines, it delivers specific functional properties required by each industry and supports compliance with regulated standards for quality and safety. Below, we outline key industrial applications substantiated by regulatory norms, established formulation practices, and real end-use products.

    1. Pharmaceutical Intermediate Production

    Benzoylacetonitrile is utilized as a core building block in the manufacture of heterocyclic drug intermediates, especially for the synthesis of compounds such as substituted pyridines and quinolines. Its capacity to participate in condensation and cyclization reactions underpins its value in the early stages of active pharmaceutical ingredient (API) development, where stringent purity and traceability requirements prevail throughout all steps of synthesis, isolation, and purification. Pharmaceutical manufacturers rely on this intermediate to comply with cGMP guidelines while ensuring batch-to-batch reproducibility and minimizing impurity formation during complex multi-step reactions.

    Industry compliance standards

    • ICH Q7A Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • United States Pharmacopeia (USP) for impurities control in APIs
    • European Pharmacopoeia monographs for chemical intermediates
    • WHO Guidelines on Quality Assurance of Pharmaceutical Ingredients

    Typical usage ratio

    • 0.3%–1.2% of total reaction mass in heterocycle precursor synthesis, adjusted based on the carbon-nitrogen framework and desired yield optimization

    Downstream process integration

    • Fed as a core substrate at the condensation or cyclization stage during multi-step organic synthesis prior to isolation of drug intermediates

    Final product types

    • Pyridine-based pharmaceutical intermediates
    • Quinoline derivatives for antimalarial and anticancer actives
    • Specialty amides and esters for API manufacturing

    2. Agrochemical Active Ingredient Synthesis

    Major agrochemical producers incorporate benzoylacetonitrile in the manufacture of select herbicide and fungicide actives, where it acts as a nitrile source and structural backbone in the synthesis of pyridine, pyrimidine, and pyrazole derivatives. These downstream syntheses demand strict process controls for environmental and occupational safety, and require the intermediate to meet specific purity profiles for predictable reactivity and manageable by-product formation. Trace-level control of impurities is essential to comply with regional registration and product stewardship rules.

    Industry compliance standards

    • FAO/WHO Specifications for Plant Protection Products
    • OECD Principles of Good Laboratory Practice (GLP) for agrochemical synthesis
    • REACH Regulation (EC 1907/2006) for chemical safety in the EU
    • China GB 2763 for pesticide maximum residue limits (MRLs)

    Typical usage ratio

    • 1.5%–2.5% by weight in the primary coupling reaction, variable depending on molecular complexity of the agrochemical target compound

    Downstream process integration

    • Input as a nitrile building block during the heteroaromatic coupling phase to construct bioactive cores for active ingredient synthesis

    Final product types

    • Pyridine-type herbicide actives
    • Pyrimidine- and pyrazole-based fungicide actives
    • Intermediates for plant growth regulators

    3. Dye and Pigment Intermediate Manufacturing

    Benzoylacetonitrile forms a foundational component in the synthesis of organic dye and pigment intermediates, particularly for the production of azo and anthraquinone dyes. In this sector, it enables the introduction of functional aromatic groups during condensation and coupling reactions, ultimately influencing color intensity, fastness, and solubility of the resulting pigments. Manufacture involves strictly monitored reaction conditions and impurity standards, governed by industry-specific safety and environmental compliance frameworks.

    Industry compliance standards

    • OEKO-TEX® Standard 100 for safe textile chemicals
    • ISO 9001: Quality standards for pigment and dye batches
    • EN 71-3: Chemical safety for colorants in toys
    • European Chemical Agency (ECHA) Substances of Very High Concern restrictions

    Typical usage ratio

    • 0.8%–2.0% of total dye precursor mix, tuned to target shade, substrate compatibility, and pigment grade requirements

    Downstream process integration

    • Introduced at the aromatic coupling stage, typically prior to diazotization, to generate dye intermediates with desired chromophore orientation

    Final product types

    • Azo dye intermediates for textile and leather coloration
    • Anthraquinone pigment precursors for plastics and paints
    • Reactive dye intermediates for cellulose fiber applications

    4. Fine Chemical Synthesis for Photoinitiators

    Producers of specialty photoinitiators for UV-curable coatings and inks use benzoylacetonitrile as an effective condensation partner in the synthesis of substituted benzoin and benzil derivatives. Its predictable reactivity and compatibility with aldol-type condensation routes allow for high, uniform product yields and control of optical purity, which is critical for the photochemical performance of these materials. The process must adhere to environmental standards for emissions and handle waste responsibly.

    Industry compliance standards

    • ISO 14001: Environmental Management Systems for chemical producers
    • Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) protocols on specialty chemicals
    • ASTM D7767: Specification for photoinitiators in coatings
    • Responsible Care Global Charter for chemical manufacturing

    Typical usage ratio

    • 0.6%–1.5% of the total initiator precursor charge, adjusted to meet UV absorption and cure rate targets in the final formulation

    Downstream process integration

    • Reacted at the condensation or benzoin formation step as a key carbonyl contributor before oxidative processing

    Final product types

    • Benzoin-based photoinitiators for UV inks and coatings
    • Benzil derivatives for photocurable polymers
    • Specialty initiator blends for 3D printing resins

    5. Flavor and Fragrance Intermediate Synthesis

    Certain fragrance and flavor manufacturers employ benzoylacetonitrile in the controlled synthesis of specialized aromatic ketones and phenyl-substituted alcohols that impart unique scent notes or flavor characteristics. Processes involving this intermediate must fulfill international regulatory criteria for food and fragrance safety, restrict process contaminants, and maintain reproducibility in downstream blending of aroma compounds. Customized formulation ratios are selected based on the target note and regulatory toxicological profile.

    Industry compliance standards

    • IFRA (International Fragrance Association) Standards for restricted substances
    • US FDA 21 CFR for food additives and flavor safety
    • EU Regulation (EC) No. 1334/2008 for flavoring substances
    • ISO 9235: Definition of natural aromatic raw materials

    Typical usage ratio

    • 0.2%–0.7% in aroma intermediate synthesis, based on desired fragrance strength and blending compatibility with essential oils or food matrices

    Downstream process integration

    • Used during the carbonylation or aromatic coupling step in the synthesis of ketonic aroma compounds before downstream distillation or blending

    Final product types

    • Aromatic ketone intermediates for fine fragrance bases
    • Phenyl-substituted alcohols for food-grade flavoring agents
    • Bespoke aroma building blocks for cosmetics and toiletries
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