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1-Bromo-3-Ethynyl-Benzene

    • Product Name 1-Bromo-3-Ethynyl-Benzene
    • Alias 3-Bromo-phenylacetylene
    • Einecs 700-392-2
    • 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

    113592

    Chemical Name 1-Bromo-3-ethynyl-benzene
    Molecular Formula C8H5Br
    Molecular Weight 181.03 g/mol
    Cas Number 6360-65-5
    Appearance Colorless to pale yellow liquid
    Boiling Point 237-238 °C
    Melting Point -13 °C
    Density 1.515 g/cm3
    Purity Typically ≥98%
    Refractive Index 1.604
    Smiles C#CC1=CC(=CC=C1)Br
    Inchi InChI=1S/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
    Synonyms 3-Bromoethynylbenzene

    As an accredited 1-Bromo-3-Ethynyl-Benzene factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle containing 25 grams of 1-Bromo-3-ethynyl-benzene; labeled with hazard warnings, product details, and supplier information.
    Shipping 1-Bromo-3-Ethynyl-Benzene is shipped in tightly sealed containers, protected from light, heat, and moisture. It is classified as a hazardous material and must be transported in compliance with local, national, and international regulations. Appropriate labeling and documentation are provided, and all handlers should use personal protective equipment to ensure safe delivery.
    Storage Store **1-Bromo-3-ethynyl-benzene** in a cool, dry, and well-ventilated area, away from sources of ignition and incompatible substances like strong oxidizers. Keep the container tightly closed and properly labeled. Protect from moisture and direct sunlight. Use only non-sparking tools when handling. For laboratory use, storage in a flammable liquids cabinet is recommended. Dispose of according to local regulations.
    Application of 1-Bromo-3-Ethynyl-Benzene

    Applications of 1-Bromo-3-Ethynyl-Benzene in Industrial Manufacturing

    As a direct producer of 1-Bromo-3-Ethynyl-Benzene, we support a range of specialty chemical sectors. We focus on industrial-scale synthesis, process integration, and downstream compliance for advanced material and pharmaceutical intermediates. Below you will find targeted, end-use applications reflecting genuine industry practices and regulatory needs.

    1. Pharmaceutical Intermediate Sourcing for Active Pharmaceutical Ingredients (APIs)

    Leading pharmaceutical manufacturers use this material in the custom synthesis of heterocyclic scaffolds and substitution patterns essential to targeted small molecule APIs. Incorporation of this intermediate during late-stage bromination and ethynylation enables the construction of benzene-derivative cores required for kinase inhibitors, anti-cancer compounds, and select CNS drug candidates. Quality management focuses on reaction efficiency, impurity profile, and traceability through cGMP-compliant production.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for APIs
    • US FDA 21 CFR Part 211
    • EU GMP Guidelines (EudraLex Vol 4)
    • Ph. Eur. and USP monograph references for intermediates

    Typical usage ratio

    • Use rate between 0.2–0.7 molar equivalents, calculated based on the required substitution pattern and overall synthetic route.
    • Exact dosing adjusted to batch size and stoichiometric demands of coupling reactions (often using a 5–10% overage to ensure full reaction).

    Downstream process integration

    • Engaged as a late-stage reactant before ring closure or cross-coupling in multi-step synthesis.
    • Introduced after purification of previous intermediates and prior to final API synthesis step.
    • Subject to in-process QC for residual halide level and ethynyl group purity.

    Final product types

    • Anti-tumor compounds
    • Central nervous system (CNS) drugs
    • Kinase inhibitor molecules
    • Specialty small-molecule API substances supplied to innovator and generic firms

    2. Advanced Materials—Organic Semiconductors and OLED Precursors

    Manufacturers of electronic-grade materials employ 1-Bromo-3-Ethynyl-Benzene in the synthesis of π-conjugated molecular frameworks for organic semiconductor devices. Its structure supports tailored cross-coupling reactions such as Sonogashira and Suzuki protocols to build linear and ladder-type structures for optoelectronic applications, including organic light-emitting diodes (OLEDs) and photovoltaic layers.

    Industry compliance standards

    • ISO 9001:2015 for quality management
    • Restriction of Hazardous Substances (RoHS) Directive compliance for industry
    • IEC 61249-2-21 for halogenated compound content limits in electronics
    • In-house supplier audits for electronic material traceability

    Typical usage ratio

    • Integrated at 0.1–0.6 molar equivalents in coupling reactions, depending on molecular design and optical property targets.
    • Adjusted based on resulting polymer chain length and device layer thickness.

    Downstream process integration

    • Utilized in aryl–alkynyl cross-coupling for monomer synthesis.
    • Purified post-coupling, then formulated into solution-processed device coatings.
    • QC for photoluminescence and impurity profiling prior to film casting.

    Final product types

    • OLED emitting layers
    • Organic field-effect transistor (OFET) active materials
    • Printable organic photovoltaic devices
    • Conductive polymer units for flexible displays

    3. Agrochemical Synthesis—Herbicide and Fungicide Intermediate Manufacturing

    Producers of high-value crop protection agents incorporate this intermediate for benzene ring functionalization in pre-finished herbicidal and fungicidal molecules. The brominated ethynyl moiety allows for regioselective transformations to form active cores, typically via palladium-catalyzed cross-coupling or halide exchange. Application focuses on precision synthesis where purity and consistency of introduction critically determine formulation stability and biological activity.

    Industry compliance standards

    • FAO/WHO Specification for Plant Protection Products
    • REACH Registration (EC 1907/2006) for substance use
    • ISO 17025 for analytical testing of pesticide intermediates
    • OECD Good Laboratory Practice (GLP) for regulatory submission batches

    Typical usage ratio

    • Applied at 0.25–1.0 equivalents per targeted aromatic unit of the end compound.
    • Ratio defined by the number of coupling points and scale of the commercial process.

    Downstream process integration

    • Charged after initial halogenation and pre-formulation blending.
    • Subjected to catalytic conversion then routed to formulation or granulation lines.
    • Controlled for trace heavy metals and by-products in finished intermediates.

    Final product types

    • Selective herbicides
    • Broad-spectrum fungicides
    • Pre-emergent weed control formulations
    • Specialty plant growth regulators

    4. Specialty Chemical Manufacturing—Custom Aroma and Flavor Ingredients

    Producers of high-value fragrance and flavor intermediates sometimes introduce this raw material in the design of aromatic compounds where its substituted ethynyl and bromo functionalities allow for precise, custom-tailored molecular modifications. Chemical engineers employ it in low-volume, high-purity runs for synthesis of regulatory-compliant aroma chemicals used in luxury perfumery and specialty food aromas, benefiting from its selective reactivity within advanced synthetic routes.

    Industry compliance standards

    • IFRA (International Fragrance Association) Standards
    • Food Chemicals Codex (FCC) for food aroma precursor use
    • ISO 9001 for production traceability
    • Hazard Analysis and Critical Control Points (HACCP) for food industry operations

    Typical usage ratio

    • Employed at 0.15–0.35 equivalents per synthesis batch, tuned to required aroma intensity and yield optimization.
    • Sometimes further diluted pre-charge in solvent-based syntheses depending on downstream scalability.

    Downstream process integration

    • Added during late-stage aromatic modifications or ring-closing steps.
    • Subject to high-purity distillation and GC-MS control before release to downstream blenders.
    • Intermediates transferred under inert gas systems to prevent side reactions.

    Final product types

    • Luxury fine fragrance bases
    • Custom flavor ingredients for food and beverage
    • High-purity aroma building blocks
    • Functionalized fragrance intermediates supplied to global brands
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