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3-Bromobenzoylacetonitrile

    • Product Name 3-Bromobenzoylacetonitrile
    • Alias 3-Bromo-2-cyanophenylacetone
    • Einecs 219-012-7
    • 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

    396655

    Product Name 3-Bromobenzoylacetonitrile
    Cas Number 2584-15-2
    Molecular Formula C9H6BrNO
    Molecular Weight 224.06 g/mol
    Appearance White to off-white solid
    Melting Point 82-86 °C
    Boiling Point No data available
    Density No data available
    Purity Typically ≥98%
    Solubility Soluble in organic solvents (e.g., ethanol, methanol, acetone)
    Synonyms 2-Oxo-2-(3-bromophenyl)acetonitrile
    Smiles N#CC(=O)C1=CC(=CC=C1)Br
    Inchikey JYJHBCJSDMDXCE-UHFFFAOYSA-N
    Storage Conditions Store at room temperature, keep container tightly closed

    As an accredited 3-Bromobenzoylacetonitrile factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing 3-Bromobenzoylacetonitrile, 25g, supplied in a sealed amber glass bottle with tamper-evident cap, labeled with hazard and handling information.
    Shipping 3-Bromobenzoylacetonitrile is shipped in tightly sealed containers, protected from moisture and direct sunlight. It is classified as a hazardous chemical; therefore, handling and transport comply with relevant safety regulations, including proper labeling and documentation. Appropriate protective measures are implemented to prevent leakage, environmental contamination, or exposure during transit.
    Storage 3-Bromobenzoylacetonitrile should be stored in a tightly sealed container, away from light, moisture, and incompatible materials like strong oxidizers. Keep it in a cool, dry, and well-ventilated area, typically at room temperature. Store in a dedicated chemical storage cabinet and clearly label the container. Use appropriate personal protective equipment (PPE) when handling.
    Application of 3-Bromobenzoylacetonitrile

    Applications of 3-Bromobenzoylacetonitrile in Industrial Manufacturing

    As an advanced intermediate produced in-house under strict process controls, 3-Bromobenzoylacetonitrile serves specialized roles across a range of high-value chemical synthesis routes. We support formulation teams and process engineers in industries demanding consistently pure and specification-compliant intermediates for their downstream product lines. Below, we outline the principal application segments where this compound integrates into core process steps, detailing requirements specific to each industrial scenario.

    1. Pharmaceutical API Intermediate Synthesis

    Pharmaceutical manufacturers source 3-Bromobenzoylacetonitrile primarily for its function in constructing Bromo-substituted aromatic scaffolds during the early phase of active pharmaceutical ingredient (API) synthesis. Its reactivity profile under Friedel–Crafts acylation and subsequent cyclization steps delivers key structural motifs for advanced intermediates in multiple drug categories, especially those targeting CNS and oncology indications. Our compliance with ICH Q7 and related GMP requirements allows direct integration into medicinal chemistry workflows under controlled batch traceability. Production chemists tune addition levels according to yield optimization and impurity control studies at each campaign scale.

    Industry compliance standards

    • ICH Q7: Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • EU EudraLex Volume 4: GMP Guidelines Part II
    • USP General Chapter <1043> Ancillary Materials for Cell, Gene, and Tissue-Engineered Products (reference for intermediates)
    • Relevant Drug Master Files (DMF) where applicable

    Typical usage ratio

    • Ranges from 0.1 molar equivalents to 1.2 molar equivalents per target molecule, based on stoichiometric requirements and process route optimization; excess typically minimized for downstream purification

    Downstream process integration

    • Enters pharmaceutical synthesis at the intermediate assembly stage, especially for carbonyl and heterocycle formation via condensation or palladium-catalyzed couplings
    • Processed through multi-step batch reactors with controlled temperature and inert atmosphere, prior to further functionalization and API assembly

    Final product types

    • API precursors for benzodiazepine drugs
    • Key intermediates for kinase inhibitor synthesis
    • Building blocks in anticonvulsant and anti-tumor pharmaceutical production

    2. Agrochemical Active Ingredient Manufacturing

    Major crop protection chemical companies use 3-Bromobenzoylacetonitrile as a critical construction element in synthetic pathways toward advanced fungicide and insecticide actives. The nitrile and bromoarene functionalities facilitate direct condensation and subsequent cyclization required for heteroaryl pesticides, providing a reproducible method for introducing site-specific halogenation crucial for bioactivity. Process engineers adhere to GLP and REACH conformity from lab pilot to commercial scale, controlling impurity profiles for regulatory submissions.

    Industry compliance standards

    • OECD Principles of Good Laboratory Practice (GLP)
    • REACH (EC) No 1907/2006 Registration, Evaluation, Authorization and Restriction of Chemicals
    • FAO/WHO Specifications for Plant Protection Products
    • ISO 9001:2015 for quality assurance in agrochemical ingredient handling

    Typical usage ratio

    • 0.3–0.7 molar equivalents per target molecule in agrochemical synthesis, adjusted by final molecule structure and targeted crop spectrum

    Downstream process integration

    • Deployed in the intermediate formation step before final cyclization or functionalization; often enters Grignard or Buchwald-Hartwig type coupling reactions within continuous or semi-continuous reactors

    Final product types

    • Triazole fungicide active ingredients
    • Pyrrole- and pyridine-based insecticides
    • Nitrile-substituted pre-emergent herbicides

    3. Specialty Dye Intermediate Production

    Manufacturers in the high-performance dye sector formulate 3-Bromobenzoylacetonitrile into synthetic processes for the production of anthraquinone and azo dye intermediates. The compound’s unique substitution pattern supports the development of colorfastness and light stability properties required by industrial textile and functional pigment users. Production processes require adherence to sectoral environmental and safety standards, with addition rates selected according to final color strength and solubility targets in downstream dye formulation plants.

    Industry compliance standards

    • ZDHC Manufacturing Restricted Substances List (MRSL) for textile chemicals
    • EU REACH Annex XVII: Restrictions on certain hazardous substances
    • ISO 14001:2015 for environmental management
    • OEKO-TEX® STANDARD 100 where applicable for commercial dye imports

    Typical usage ratio

    • 0.05–0.25 molar equivalents per dye intermediate batch, modulated based on substrate compatibility and color yield efficiency

    Downstream process integration

    • Fed into high-shear reactors during the key precursor assembly phase, typically under controlled pH and high-temperature conditions to promote full conversion and minimize side-reactions before the coupling stage

    Final product types

    • Reactive blue anthraquinone dye intermediates
    • Azo dye precursors for environmental-resistant pigment production
    • High-purity chromophore bases for technical textile coloration

    4. Electronic Chemical Synthesis (OLED and Organic Semiconductors)

    Electronic material manufacturers integrate 3-Bromobenzoylacetonitrile into the synthesis routes for advanced organic semiconductors, particularly for OLED emitting layers and hole transport materials. Its bromo-substituted aromatic core enables precise Suzuki and Stille coupling reactions to build π-conjugated molecular frameworks critical for charge mobility and emission stability. Downstream process workflows involve precise, moisture-free, and low-ppm impurity conditions, meeting electronics industry purity protocols and batch characterization requirements.

    Industry compliance standards

    • JEITA Emission Standards and Chemical Management Guidelines in Electronic Materials
    • IPC-1401: Supply Chain Social Responsibility Management System
    • RoHS Directive 2011/65/EU on the restriction of hazardous substances in electronics
    • ISO 9001:2015 certified process control for electronic chemical production

    Typical usage ratio

    • 0.2–1.0 molar equivalents per target OLED or hole transport molecule, as determined by electronic structure requirements and batch process yield analysis

    Downstream process integration

    • Introduced during Suzuki or Stille cross-coupling step under argon/nitrogen atmosphere, upstream of final cyclization and film-forming agent preparation; integrated into both lab-scale and roll-to-roll production environments

    Final product types

    • Emitter precursor molecules for blue, green, and red OLED devices
    • Advanced hole/electron transport organic semiconductors
    • Functionalized small molecules for display and lighting applications
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