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4-Bromo-2-(Trifluoromethyl)Phenyl Isothiocyanate

    • Product Name 4-Bromo-2-(Trifluoromethyl)Phenyl Isothiocyanate
    • Alias 4-Bromo-2-(trifluoromethyl)phenyl isothiocyanate
    • Einecs 617-104-6
    • 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

    591347

    Chemical Name 4-Bromo-2-(Trifluoromethyl)Phenyl Isothiocyanate
    Cas Number 328567-77-7
    Molecular Formula C8H3BrF3NS
    Molecular Weight 300.08
    Appearance White to off-white solid
    Smiles C1=CC(=C(C=C1Br)N=C=S)C(F)(F)F
    Purity Typically ≥98%
    Storage Temperature 2-8°C
    Solubility Soluble in organic solvents (e.g., DMSO, DMF)
    Synonyms Isothiocyanic acid, [4-bromo-2-(trifluoromethyl)phenyl] ester

    As an accredited 4-Bromo-2-(Trifluoromethyl)Phenyl Isothiocyanate 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 5 grams of 4-Bromo-2-(Trifluoromethyl)Phenyl Isothiocyanate, securely sealed with a tamper-evident cap.
    Shipping **Shipping Description:** 4-Bromo-2-(Trifluoromethyl)Phenyl Isothiocyanate is shipped in tightly sealed containers, protected from light, moisture, and heat. It is handled as a hazardous material and transported according to chemical safety regulations, with appropriate labeling and documentation. Personal protective equipment is recommended during handling and transportation. Avoid contact with skin, eyes, and clothing.
    Storage Store **4-Bromo-2-(trifluoromethyl)phenyl isothiocyanate** in a tightly sealed container, in a cool, dry, well-ventilated area, away from light, moisture, and incompatible materials such as strong acids, bases, and oxidizing agents. Avoid prolonged exposure to air. Use appropriate chemical storage cabinets (preferably flammable or corrosive resistant). Label containers clearly and handle with proper PPE to prevent inhalation or skin/eye contact.
    Application of 4-Bromo-2-(Trifluoromethyl)Phenyl Isothiocyanate

    Applications of 4-Bromo-2-(Trifluoromethyl)Phenyl Isothiocyanate in Industrial Manufacturing

    As the original manufacturer, we support international production facilities and formulation teams with specialized grades of 4-Bromo-2-(Trifluoromethyl)Phenyl Isothiocyanate for advanced chemical synthesis. Below are core industrial sectors and downstream segments where this compound enters dedicated formulations. Each section details compliance, practical ratios, integration points, and the resulting finished goods handled by our direct clients.

    1. Active Pharmaceutical Ingredient (API) Intermediate Synthesis

    Pharmaceutical synthesis plants engage this compound as a building block in developing targeted kinase inhibitors and sulphur-containing heterocyclic drugs. Chemists perform stepwise functionalization and coupling under cGMP controls, with full traceability and impurity documentation, typically integrating the isothiocyanate moiety during later-stage API assembly. The purified intermediates proceed to downstream hydrogenation or protection and then to formulation for regulated APIs.

    Industry compliance standards

    • ICH Q7 GMP for API Manufacturing
    • 21 CFR Part 211 (FDA)
    • European Pharmacopoeia 12th Ed. raw material standards
    • EDQM Nitrosamine Control Guidelines

    Typical usage ratio

    • 0.15–0.45 molar equivalents relative to core aromatic substrate, adjusted based on substitution degree and protection group strategies

    Downstream process integration

    • Entry point at the sulfur functionalization stage of multi-step API synthesis
    • Direct reaction in inert atmospheres (N2 or Ar) with pre-activated aromatic precursors
    • Intermediate isolated via crystallization or preparative chromatography for onward reactions

    Final product types

    • Kinase inhibitor APIs for oncology therapy
    • Thiazole and thiourea-based pharmaceuticals
    • Key intermediates for clinical-stage drug candidates
    • Research API reference standards

    2. Crop Protection Active Synthesis

    Agrichemical producers deploy this isothiocyanate for the assembly of novel aromatic heterocyclic actives, especially in the creation of triazole, dithiocarbamate, and substituted urea fungicides. Integration occurs after the formation of the base aromatic ring, enabling selective thiolation and subsequent cyclization under controlled temperature and solvent management. Inspection teams perform multi-residue analysis to ensure regulatory compliance of both intermediate and final technical concentrate.

    Industry compliance standards

    • OECD Good Laboratory Practice for Chemical Testing
    • FAO Specification for Technical Active Ingredients
    • REACH Annex VIII and IX requirements endorsed by ECHA
    • China GB 4839-2009 Pesticide Product Standards

    Typical usage ratio

    • 0.20–0.35 molar equivalents, typically balanced against the haloarene input to maximize yield and minimize residue

    Downstream process integration

    • Applied after base ring functionalisation, with isothiocyanate introduction by nucleophilic substitution
    • Integrated into continuous-flow or batch reactors under local exhaust ventilation
    • Crude active filtered and purified before formulation into crop protection products

    Final product types

    • Broad-spectrum fungicide technical concentrates
    • Pre-emergence herbicide intermediates
    • Systemic seed treatment actives for cereals
    • Crop-specific biocidal actives (triazole derivatives)

    3. Specialty Dye and Pigment Intermediates

    Dye manufacturing operations utilize the compound in the preparation of aryl isothiocyanate intermediates supporting push-pull chromophore systems. Lab managers handle this input during the late synthesis stage, ensuring correct substitution and color performance for automotive, industrial textile, and plastic colorants. Compound introduction occurs after sulfonation and halogenation, tightly controlling conditions to minimize by-product formation and guarantee batch consistency for final pigment dispersions.

    Industry compliance standards

    • ISO 9001:2015 Quality Management for Pigments and Dyes
    • Zhejiang Provincial Clean Production Audit for Fine Chemicals
    • EN 71-3:2019 Safety for Toy Colorants (for textile & plastic applications)
    • REACH Annex XV Dossier Requirements for Substances Used in Colorants

    Typical usage ratio

    • 0.25–0.40 molar equivalents to aromatic amine precursor, adjusted per desired color intensity and chromophore structure

    Downstream process integration

    • Entry after base chromophore formation (late-stage functionalization)
    • Nucleophilic addition to generate isothiourea or thiourea dye precursors
    • Followed by oxidative or acid cleavage to complete pigment structure

    Final product types

    • High-performance automotive pigment dispersions
    • Cationic dye bases for textile and fiber coloration
    • Masterbatch colorants for engineering plastics
    • Special effect pigments for packaging and security inks

    4. Fluorinated Aromatic Polymer Synthesis

    Advanced materials manufacturers use this building block to introduce high-value fluorinated and brominated aromatic units into specialty polymer chains, increasing chemical resistance and thermal performance. Introduction typically occurs during monomer pre-assembly, where the isothiocyanate reacts with functionalized diamines or dithiols, helping establish rigid backbone structures. QA teams verify molecular weight distribution and residual reactants to confirm end-use suitability in demanding sectors such as electronics and filtration membranes.

    Industry compliance standards

    • ISO 7822:2017 Plastics—Determination of Residual Monomer Content
    • UL 94 Flammability Testing for Polymers
    • RoHS Directive (EU) 2015/863 for Electronic Components
    • ASTM D638 Tensile Properties for Specialty Plastics

    Typical usage ratio

    • 0.10–0.22 molar equivalents in copolymer monomer batches, with exact ratio tailored to desired flame resistance and solubility

    Downstream process integration

    • Monomer functionalization stage, creating reactive intermediates for polycondensation
    • Incorporated in sealed reactors with controlled addition rate to ensure uniform distribution in final polymer matrix
    • Polymers isolated via precipitation and subjected to post-polymerization purification

    Final product types

    • Aromatic polyimide films for flexible circuitry
    • High-performance membrane materials for gas separation
    • Fluorinated polymer resins for corrosion-proof coatings
    • Brominated flame-retardant plastics for automotive applications

    5. Advanced Material Discovery and Chemical Research

    Chemical research institutions and R&D divisions access the material for lead compound development, structure-activity relationship studies, and the creation of reference standards. Analytical teams exploit the unique reactivity in rapid substitution protocols to generate compound libraries using combinatorial techniques, facilitating screening for medicinal, agrochemical, or material use. Researchers record all process data, impurity markers, and analytical fingerprints under rigorous documentation, often in compliance with institutional grant requirements or patent filings.

    Industry compliance standards

    • GLP Principles for Laboratory Research (OECD, FDA, China MOH)
    • Institutional Review and Data Integrity Controls (University, Corporate R&D)
    • USP General Chapter <1058> for Analytical Instrument Qualification
    • Lab-specific EHS regulations for hazardous chemical usage

    Typical usage ratio

    • 10–40 mmol per reaction sequence, typically optimized at bench scale for reactivity, yield, and analytical tracking

    Downstream process integration

    • Introduced during iterative compound generation workflows
    • Used in parallel synthesis to generate small-molecule libraries
    • Processed under inert gas with automated liquid handlers for precision screening

    Final product types

    • Novel probe molecules for biological assays
    • Reference standards for structure elucidation
    • Lead compounds for patent filing
    • Performance intermediates for new material evaluation
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