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5-(Bromoacetyl)-3-Phenylisoxazole

    • Product Name 5-(Bromoacetyl)-3-Phenylisoxazole
    • Alias BRPA-ISOX
    • 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
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    Specifications

    HS Code

    900358

    Chemical Name 5-(Bromoacetyl)-3-Phenylisoxazole
    Cas Number 86170-41-0
    Molecular Formula C11H8BrNO2
    Molecular Weight 266.09 g/mol
    Appearance White to off-white solid
    Melting Point 91-94°C
    Purity Typically ≥98%
    Solubility Soluble in DMSO, DMF, and chloroform
    Storage Temperature 2-8°C
    Smiles C1=CC=C(C=C1)N2C=CC(=O)C2C(Br)=O
    Inchi InChI=1S/C11H8BrNO2/c12-8-10(14)13-7-9(15-13)11-5-3-2-4-6-11/h2-7H,8H2

    As an accredited 5-(Bromoacetyl)-3-Phenylisoxazole factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Amber glass bottle, 10 grams, with tamper-evident cap; chemical name, CAS number, and hazard symbols printed on the label.
    Shipping 5-(Bromoacetyl)-3-Phenylisoxazole is shipped in tightly sealed, chemically compatible containers, protected from moisture and light. Package is clearly labeled according to hazardous material regulations. During transit, the chemical is handled by licensed carriers, following all safety and legal requirements for shipping hazardous laboratory reagents. Appropriate documentation is included.
    Storage Store 5-(Bromoacetyl)-3-Phenylisoxazole in a tightly sealed container, protected from light and moisture, in a cool, dry, well-ventilated area. Keep away from incompatible substances such as strong oxidizers and bases. Ensure storage in a designated chemical area, clearly labeled, and restrict access to trained personnel. Handle with proper personal protective equipment due to potential toxicity or irritancy.
    Application of 5-(Bromoacetyl)-3-Phenylisoxazole

    Applications of 5-(Bromoacetyl)-3-Phenylisoxazole in Industrial Manufacturing

    5-(Bromoacetyl)-3-Phenylisoxazole serves as a critical intermediate for multiple specialty chemical sectors. As the original manufacturer, we supply this compound to several advanced process chains demanding consistent purity, technical support, and integrated quality assurance. Below, we detail typical downstream applications with industry-specific process, compliance, and formulation information.

    1. Pharmaceutical API Intermediate

    Pharmaceutical synthesis relies on 5-(Bromoacetyl)-3-Phenylisoxazole for the construction of isoxazole-containing drug candidates, especially in the analgesic and anti-inflammatory classes. The compound is integrated in acylation steps or ring-closure sequences where precise molar ratios and controlled reaction temperatures maintain target specificity. Originators and generics manufacturers source this intermediate under strict GMP guidelines, requiring validated impurity profiles and full traceability.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • 21 CFR Part 211 (FDA cGMP for Finished Pharmaceuticals, where relevant)
    • Ph. Eur., JP, USP reference standards for downstream actives
    • Certificate of Analysis and full traceability required for each batch

    Typical usage ratio

    • Used at 0.7–1.3 molar equivalents relative to target API formation, adjusted for step yield and starting material purity

    Downstream process integration

    • Charged during early- or mid-stage heterocycle assembly reactions
    • Used in direct bromination/acylation, then purified before organometallic coupling or further functionalization

    Final product types

    • Analgesic APIs (e.g., isoxazole-based nonsteroidal anti-inflammatory drugs)
    • Intermediates for neuromodulatory agents
    • Precursors to anti-infective active compounds

    2. Agrochemical Synthesis

    Producers in the agrochemical sector utilize this intermediate during the construction of novel herbicides and fungicides. The arylisoxazole core is frequently incorporated into active molecules through selective acylation, demanding meticulous control of process impurities under REACH and GLP standards. Industrial users focus on batch-to-batch reproducibility to meet regulatory requirements for environmental and food safety submissions.

    Industry compliance standards

    • REACH Regulation (EC) No 1907/2006 (Europe, for raw materials in crop protection)
    • OECD Good Laboratory Practice (GLP) for registration batches
    • ISO 9001:2015 certified manufacturing processes

    Typical usage ratio

    • Applied at 1.0–1.2 molar equivalents depending on downstream chlorination or coupling step efficiency

    Downstream process integration

    • Introduced during core scaffold construction in pre-formulation or pilot-scale synthesis
    • Purified material is isolated before library expansion or ingredient formulation

    Final product types

    • Herbicide actives containing isoxazole rings
    • Fungicides for cereal, soybean, and corn applications
    • Pesticide safety intermediates for combined agronomic use

    3. Specialty Dye and Pigment Manufacture

    Dye manufacturers employ this building block for creating high-stability heterocyclic dyes and pigments intended for inks, coatings, and polymeric materials. The isoxazole moiety enhances light fastness and color vibrancy, often through selective bromination or coupling stages. Customers require analytical documentation for purity, absence of restricted aromatics, and compliance with international environment and product safety specifications.

    Industry compliance standards

    • ISO 9001:2015 quality system for pigment raw materials
    • EN 71-3 (for pigments in toys and children's products)
    • OEKO-TEX® Standard 100 (for textile dye safety, where applicable)
    • RoHS Directive 2011/65/EU (for electronics encapsulation dyes)

    Typical usage ratio

    • Loaded at 0.5–2.0% by weight of total pigment formulation, adjusted for desired chromaticity or polymer compatibility

    Downstream process integration

    • Added to heterocycle-forming dye synthesis steps
    • Follows methylation or phenyl coupling for extended hue range

    Final product types

    • UV-resistant dyes for technical textiles
    • Specialty pigments for anti-counterfeiting inks
    • Color additives for high-performance polymer compounds

    4. Chemical Research and Development Reagent

    R&D laboratories source this material as a reference compound and scaffold for synthesis pathway development. Academic and industrial innovation groups employ this intermediate in structure-activity relationship (SAR) studies, utilizing its reactive bromoacetyl and aryl moieties to generate libraries targeting specific biological or material properties. Due to broad R&D use, supplied batches require detailed QC data and compliance with chemical inventory norms for safe handling and reporting.

    Industry compliance standards

    • Registered under US TSCA Inventory for research use
    • GHS/CLP hazard communication and MSDS documentation
    • Local chemical inventory registration (e.g., China IECSC, Japan ENCS, EU REACH preregistration for R&D exemptions where applicable)

    Typical usage ratio

    • Used from 0.1 mmol to several grams per experiment, determined by research scale; excess often applied during screening to optimize scaffold substitution

    Downstream process integration

    • Actively introduced at key synthetic transformation steps in new molecule design
    • Serves as reference or intermediate structure in analytical, biological, and polymer applications

    Final product types

    • Reference compounds for analytical standards
    • Rapid-access intermediates for patentable new chemicals
    • Experimental pharmaceutical, agrochemical, and material science test samples
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