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1-Bromo-4-Isocyanobenzene

    • Product Name 1-Bromo-4-Isocyanobenzene
    • Alias 4-Bromophenyl isocyanide
    • Einecs 223-249-0
    • 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

    924826

    Chemicalname 1-Bromo-4-isocyanobenzene
    Casnumber 13962-87-1
    Molecularformula C7H4BrN
    Molecularweight 198.02
    Appearance White to light yellow solid
    Meltingpoint 42-44°C
    Boilingpoint 120-124°C at 4 mmHg
    Density 1.62 g/cm3
    Smiles N#Cc1ccc(Br)cc1
    Inchi InChI=1S/C7H4BrN/c8-7-3-1-6(2-4-7)5-9/h1-4H
    Solubility Slightly soluble in water, soluble in organic solvents
    Refractiveindex 1.620 (Predicted)
    Storageconditions Store at 2-8°C, in a tightly closed container
    Pubchemcid 3131664
    Ecnumber NA

    As an accredited 1-Bromo-4-Isocyanobenzene factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle labeled "1-Bromo-4-Isocyanobenzene, 98%, 25g" with hazard symbols and safety instructions, securely sealed.
    Shipping 1-Bromo-4-isocyanobenzene is shipped in tightly sealed containers, protected from moisture and light, and labeled according to hazardous material regulations. It should be transported at ambient temperature, with proper documentation and handling precautions. Ensure compatibility with other cargo, and follow all relevant regulations for hazardous chemicals during transit and storage.
    Storage Store 1-Bromo-4-isocyanobenzene in a tightly sealed container, in a cool, dry, and well-ventilated area away from sources of ignition, moisture, and incompatible substances such as strong oxidizers and acids. Protect from light and avoid prolonged exposure to air. Proper lab safety procedures and personal protective equipment should be used when handling and storing this chemical.
    Application of 1-Bromo-4-Isocyanobenzene

    Applications of 1-Bromo-4-Isocyanobenzene in Industrial Manufacturing

    As an innovative manufacturer of 1-Bromo-4-Isocyanobenzene, we support industrial customers in key value chains by supplying this advanced intermediate for downstream synthesis. Its well-characterized reactivity profile and specification consistency enable reliable incorporation into specialized production processes, facilitating control over purity, yield, and downstream molecular architecture where isocyanate and bromo functionalities are essential.

    1. Advanced Agrochemical Synthesis: Selective Herbicide Intermediates

    Leading agrochemical formulators rely on this compound as a building block in the synthesis of highly specific herbicides, where the benzene ring substituted with isocyanate and bromo groups serves as a scaffold for subsequent group attachments. The introduction stage often employs nucleophilic substitution or coupling, using this intermediate as a key anchoring point for structural features designed for targeted weed species control. Downtime and waste minimization depend on the accurate metering of this intermediate, as both under- and over-use can hinder reaction selectivity and downstream purification.

    Industry compliance standards

    • ISO 9001:2015 (Quality Management for Chemical Manufacture)
    • FAO/WHO Specifications for Plant Protection Products
    • EU REACH Registration (Annex VII–VIII applicable data)
    • US EPA Pesticide Registration Standards (40 CFR Parts 150–180)

    Typical usage ratio

    • 10–20% (w/w) relative to total coupling components; adjustment based on targeted final molecular weight and intended substitution pattern in the parent herbicide structure

    Downstream process integration

    • Dosed during selective halogenation stage or prior to nucleophilic aromatic substitution in continuous-flow or batch reactors as the primary aromatic substrate

    Final product types

    • Chlorophenylurea-based selective herbicides
    • Phenylcarbamate herbicide precursors
    • Custom benzamide weed-control actives
    • Innovative HPPD inhibitor scaffolds

    2. Pharmaceuticals: Active Pharmaceutical Ingredient (API) Intermediate

    Pharmaceutical manufacturers incorporate this compound during the multiphase synthesis of certain heterocycle-based APIs, especially those requiring precise isocyanate functionalization or bromo-directed arylations. Its role in these processes demands strict analytical control for trace impurities and is essential for achieving high yields in downstream cyclizations and amidations carried out under cGMP environments. The performance in flow or batch chemistries significantly influences time-to-release and reproducibility of the API manufacturing pipeline.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients
    • USP-NF Monograph Requirements – relevant process intermediates
    • Ph. Eur. General Chapters (2.2.24, 2.4.8, 2.4.24 for related substances and residual solvents)
    • 21 CFR Parts 210/211 (US FDA Drug GMP Regulations)

    Typical usage ratio

    • 12–18% (mole ratio in relation to starting aniline or substituted ammonia derivatives; optimization contingent on substrate purity and reactor volume)

    Downstream process integration

    • Introduced at arylation or isocyanation phase in the multi-step synthetic route; typically charged as a solution in acetonitrile or DMAc for improved solubilization and kinetic efficiency

    Final product types

    • Kinase inhibitor intermediates
    • Pyrimidinylbenzene-based API scaffolds
    • Benzamide anti-inflammatory core structures
    • Targeted oncology molecule intermediates

    3. Specialty Polymers: Precursor in High-Performance Polyurethanes

    Manufacturers of specialty polymers employ this molecule for its dual-functional groups, enabling cross-linking reactions that impart rigidity, chemical resistance, and tailored thermal behavior in engineered polyurethanes. This intermediate enters at the prepolymer synthesis stage, where precise isocyanate content modulation defines downstream elasticity and performance in extreme environments. Manufacturers carefully control input ratios to avoid undesired branching or side-product formation during processing, especially at commercial scale.

    Industry compliance standards

    • EN ISO 9001:2015 (Polymer Production)
    • Global Automotive Supplier Quality Standard IATF 16949 (where applicable)
    • RoHS 2011/65/EU (Restriction of Hazardous Substances in End-use Polymers)
    • REACH SVHC Monitoring (for downstream clearance)

    Typical usage ratio

    • 5–9% (w/w) based on prepolymer resin solids; proportion balanced according to the desired hard segment content and melt viscosity targets

    Downstream process integration

    • Fed during prepolymer formation by controlled isocyanate addition under inert atmosphere; followed by chain extension or curing as per final performance specification

    Final product types

    • Electronics encapsulant polyurethanes
    • High-durability industrial coatings
    • Specialized insulation foams
    • Chemical-resistant elastomer formulations

    4. Electronic Chemicals: Substrate for OLED and Liquid Crystal Precursor Synthesis

    Producers of advanced display materials use this compound for constructing rigid aromatic backbones essential in OLED emitter and liquid crystal alignment layer synthesis. Its halogenated and isocyanation sites serve as functionalization points during Suzuki–Miyaura, Buchwald-Hartwig, or other cross-coupling processes. Purity, trace metallics, and controlled substitution patterns are crucial for consistency in optoelectronic properties and long-term material stability under device operation conditions.

    Industry compliance standards

    • JEITA ET-7300 (Quality Control in Electronic Materials)
    • IEC 62474 (Material Declaration for Electronic Products)
    • Global RoHS/REACH compliance for electronic chemicals
    • SEMATECH Guidelines (where required for semiconductor grade)

    Typical usage ratio

    • 1–3% (mole basis relative to total aromatic feedstock); final value determined by needed degree of functionalization and chromophore loading

    Downstream process integration

    • Integrated in cross-coupling or amination stage, often introduced as a solid or dissolved in high-purity solvents using glovebox or dry-room techniques to ensure exclusion of moisture and trace ions

    Final product types

    • OLED emitter precursors
    • Liquid crystal alignment monomers
    • Intermediate for organic semiconductor films
    • Aromatic spacer units in advanced display coatings
    Free Quote

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