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3-Iodophenylacetonitrile

    • Product Name 3-Iodophenylacetonitrile
    • Alias 3-Iodobenzyl cyanide
    • Einecs 629-181-4
    • 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

    100508

    Chemicalname 3-Iodophenylacetonitrile
    Casnumber 399-03-1
    Molecularformula C8H6IN
    Molecularweight 243.05
    Appearance White to pale yellow crystalline powder
    Meltingpoint 66-68°C
    Density 1.68 g/cm3
    Purity Typically ≥98%
    Solubility Slightly soluble in water; soluble in organic solvents (e.g. ethanol, DMSO)
    Smiles N#CC1=CC(=CC=C1)I
    Inchi InChI=1S/C8H6IN/c9-7-3-1-2-6(4-7)5-8-10/h1-4H,5H2

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

    Packing & Storage
    Packing The 25g bottle of 3-Iodophenylacetonitrile comes in an amber glass container with a secure screw cap and hazard labeling.
    Shipping 3-Iodophenylacetonitrile is shipped in tightly sealed containers, compliant with hazardous materials regulations. It is protected from moisture, heat, and incompatible substances, and handled by trained personnel. Packages are labeled according to chemical safety standards, typically shipped via ground or approved carriers with appropriate documentation for safe and legal transport.
    Storage 3-Iodophenylacetonitrile should be stored in a tightly closed container, in a cool, dry, and well-ventilated area away from incompatible substances like strong oxidizers and acids. Protect it from light and moisture, and keep it at room temperature or below. Ensure the storage area has appropriate spill containment and is labeled to prevent accidental exposure.
    Application of 3-Iodophenylacetonitrile

    Applications of 3-Iodophenylacetonitrile in Industrial Manufacturing

    As a manufacturer specializing in advanced chemical intermediates, we supply 3-Iodophenylacetonitrile for downstream partners seeking high-purity input for demanding synthesis routes. This specialty compound plays a pivotal role as a building block in several industrial sectors, where tight quality and compliance demands dictate formulation methodology and process integration. Below, we outline key application scenarios recognized in commercial-scale production environments.

    1. Pharmaceutical Intermediate for Antineoplastic Synthesis

    Leading pharmaceutical producers utilize 3-Iodophenylacetonitrile as a core intermediate in the development of specific oncology active pharmaceutical ingredients (APIs), especially for aryl nitrile-containing small molecules. Our material directly supports the synthesis of advanced intermediates where the aryl iodide functional group either undergoes cross-coupling or is converted in further synthetic steps. The compound’s performance influences product yield and purity, both of which affect downstream regulatory filings and batch release requirements.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice (GMP) for Active Pharmaceutical Ingredients
    • European Pharmacopoeia (Ph. Eur.) monograph references for impurity control
    • US FDA 21 CFR parts 210/211 for pharmaceutical manufacturing
    • Relevant DMF (Drug Master File) quality documentation

    Typical usage ratio

    • Commonly 0.8–1.1 molar equivalents versus the reacting amine or boronic acid, adjusted based on scale and route selection

    Downstream process integration

    • Charged at the aromatic nitrile introduction stage, often via Suzuki or Buchwald–Hartwig coupling reactions for scaffold assembly

    Final product types

    • Anticancer drug substances incorporating aryl nitrile structures
    • Advanced pharmaceutical intermediates for further functionalization in API development pipelines

    2. Agricultural Chemical Intermediate for Herbicide Synthesis

    Producers of post-emergent herbicides employ our material in the preparation of aryl nitrile-based actives, particularly for molecules requiring selective iodine placement for downstream cyclization or aromatic substitution. Its high assay and consistent reactivity minimize unwanted side reactions and help secure regulatory acceptance of finished active ingredients.

    Industry compliance standards

    • FAO/WHO pesticide specifications for technical active ingredients
    • ISO 9001:2015 certified process management
    • National agrochemical registration standards (e.g., US EPA, EU REACH)
    • Residue and impurity limits as per local pesticide legislation

    Typical usage ratio

    • Typically 0.9–1.3 equivalents relative to base or coupling partner, refined for process efficiency and E-factor reduction

    Downstream process integration

    • Added during key arylation step or ring-closing reactions forming heterocyclic structures in herbicide active synthesis

    Final product types

    • Selective post-emergence herbicide actives
    • Precursors for aryl nitrile agrochemical formulations

    3. Electronic Chemicals: Precursor for OLED Material Synthesis

    In the electronic material industry, manufacturers leverage 3-Iodophenylacetonitrile for constructing aryl nitrile precursors integral to high-efficiency OLED emitter molecules. Its reliable halogenation pattern facilitates palladium-catalyzed coupling, which shapes the light-emitting layer's architecture and ensures color purity and device longevity.

    Industry compliance standards

    • SEMI C93-0914 guidelines for electronic chemical raw materials
    • Quality systems certified under ISO 9001 for electronics-grade materials
    • Internal OLED device fabricator quality requirements
    • RoHS/REACH compliance for finished electronic components

    Typical usage ratio

    • Ranges from 1.0–1.2 equivalents versus organoboron or stannane partners; ratio is tuned for stoichiometric accuracy in batch synthesis

    Downstream process integration

    • Utilized during cross-coupling steps to introduce the nitrile moiety onto complex aromatic frameworks making up the emissive material

    Final product types

    • OLED emitter and transport layer molecules
    • Intermediates for electronic display materials

    4. Fine Chemical Synthesis: Intermediate for Custom Aromatics

    In the fine chemicals sector, contract synthesis and specialty aromatics producers select this compound for routes where the meta-iodo functional group is required to direct subsequent reactions or as a platform for building complex molecules. Its reactivity streamlines multi-step syntheses, enhancing batch throughput and reducing the need for additional purification cycles.

    Industry compliance standards

    • ISO 9001:2015 certified quality management systems for specialty chemicals
    • Customer-specific specification agreements
    • Registration for REACH or TSCA as required by destination market
    • Batch traceability documentation for non-pharma aromatic production

    Typical usage ratio

    • Generally 1.0 equivalent, with process-specific adjustments according to target molecule and scale of operation

    Downstream process integration

    • Integrated at the aromatic substitution, nitrile introduction, or halogen exchange stages depending on the desired end product structure

    Final product types

    • Custom-designed aromatic intermediates
    • Building blocks for dye or fragrance synthesis
    • Complex research compounds used in chemical libraries
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