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5-Chloro-2-Methylphenyl Isothiocyanate

    • Product Name 5-Chloro-2-Methylphenyl Isothiocyanate
    • Alias 5-Chloro-2-methylphenyl isothiocyanate
    • Einecs 247-752-2
    • 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

    475795

    Productname 5-Chloro-2-Methylphenyl Isothiocyanate
    Casnumber 4448-14-0
    Molecularformula C8H6ClNS
    Molecularweight 183.66 g/mol
    Appearance Pale yellow to yellow liquid
    Boilingpoint 101-103°C at 8 mmHg
    Density 1.24 g/cm³
    Purity Typically ≥97%
    Refractiveindex 1.618-1.622
    Smiles CC1=CC(=CC=C1N=C=S)Cl
    Solubility Slightly soluble in water, soluble in organic solvents
    Storagetemperature 0-4°C
    Hazardclass Irritant

    As an accredited 5-Chloro-2-Methylphenyl Isothiocyanate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing Dark amber glass bottle, 25g, tightly sealed with screw cap; warning labels indicate hazardous contents, chemical name, and safety precautions.
    Shipping 5-Chloro-2-Methylphenyl Isothiocyanate should be shipped in tightly sealed containers, protected from light, moisture, and incompatible substances. It must be handled as a hazardous material, following all relevant regulations for the transport of chemicals. Proper labeling, documentation, and use of secondary containment are essential to ensure safety during transit.
    Storage 5-Chloro-2-Methylphenyl Isothiocyanate should be stored in a cool, dry, well-ventilated area, away from heat, ignition sources, and direct sunlight. Keep the container tightly closed and clearly labeled. Store separately from incompatible substances such as strong oxidizers and acids. Use appropriate, chemical-resistant containers and avoid moisture to prevent decomposition or hazardous reactions. Handle with proper protective equipment.
    Application of 5-Chloro-2-Methylphenyl Isothiocyanate

    Applications of 5-Chloro-2-Methylphenyl Isothiocyanate in Industrial Manufacturing

    5-Chloro-2-Methylphenyl Isothiocyanate serves as an essential intermediate for specialty chemical synthesis, widely used in multiple high-value industrial segments. Our manufacturing expertise ensures quality and performance for downstream integration across diversified technical applications.

    1. Agrochemical Active Ingredient Synthesis

    Agricultural chemical manufacturers employ this material for constructing key heterocyclic ring systems and functionalizing intermediates during the synthesis of crop protection actives, including certain isothiocyanate-based fungicides and herbicides. The isothiocyanate group provides direct reactivity, forming stable sulfur-containing linkages through step-wise nucleophilic substitution, usually in anhydrous conditions using phase transfer catalysis. This step often defines biological selectivity and influences formulation stability in the end-use pesticide products.

    Industry compliance standards

    • FAO/WHO JMPR Pesticide Specifications
    • OECD Good Laboratory Practice (GLP)
    • ISO 9001:2015 Quality Management for Active Substance Manufacturing
    • National Registration Authority Regulations (e.g., US EPA, EU PPP)

    Typical usage ratio

    • 10–30% by molar ratio in key intermediate coupling steps
    • Adjustment based on targeted compound molecular structure and yield optimization

    Downstream process integration

    • Batch-wise addition under inert atmosphere at 60–90°C for isothiocyanation reactions
    • Followed by work-up, purification, and crystallization of active intermediates

    Final product types

    • Herbicidal active ingredients for cereal and fruit crops
    • Fungicidal intermediates for broad-spectrum formulations
    • Acaricidal agents for field application
    • Custom agricultural adjuvant precursors

    2. Pharmaceutical Intermediate for Small Molecule Synthesis

    Pharma manufacturers use the material for the construction of thioamide, thiourea, and heterocycle-based APIs via direct insertion into aromatic scaffolds. Its pronounced reactivity with amines, hydrazines, and diamines enables selective synthesis under controlled pH and solvent systems, while maintaining isomeric purity critical for downstream regulatory submission. Multi-step syntheses for enzyme inhibitors or antibacterial candidates frequently initiate from this isothiocyanate building block.

    Industry compliance standards

    • ICH Q7 GMP for Active Pharmaceutical Ingredient Production
    • Ph. Eur., USP monographs relevant to process intermediates
    • 21 CFR Part 211 (US FDA cGMP for Finished Pharmaceuticals)
    • REACH Registration for European Union Import

    Typical usage ratio

    • 5–18% by molar equivalence versus amine-functionalized core intermediates
    • Calibrated per reaction kinetics and target impurity profile

    Downstream process integration

    • Added post-nucleophilic substitution, commonly under dry DMF or DMSO, at below 50°C
    • Followed by purification steps to achieve GMP-grade intermediates

    Final product types

    • Pharmaceutical intermediates for antitumor and anti-inflammatory drugs
    • Building blocks for enzyme inhibitor APIs
    • Intermediate for cGMP-purified generic compounds
    • Reference standards for R&D and new drug development

    3. Specialty Dye and Pigment Intermediate

    Colorant manufacturers incorporate this isothiocyanate to create reactive dye precursors and sulfur dyes, especially where fastness and environmental resistance are prioritized. It engages in condensation with aromatic hydrocarbons or secondary amines, embedding sulfur functionality that enhances chromophore stability. Reaction parameters revolve around aqueous-alkaline or polar organic media, balancing yield and minimized by-product formation crucial for textile and ink reproducibility.

    Industry compliance standards

    • ZDHC MRSL (Zero Discharge of Hazardous Chemicals) agreement
    • Oeko-Tex 100 safety limits for residual intermediates
    • EC REACH Dye Registration
    • ISO 9001:2015 for pigment chemical production

    Typical usage ratio

    • 6–15% by weight in dye condensation reactions
    • Higher end for sulfur dyes, lower for reactive dyes

    Downstream process integration

    • Mixed with dye base molecules during sulfidation or chromophore coupling phases
    • Batch processing at 80–120°C, followed by filtration and standardization

    Final product types

    • Sulfur dyes for textile fibers
    • Reactive dye intermediates for cotton and synthetic materials
    • Industrial colorants for inkjet and security printing
    • Specialty pigments for plastic compounding

    4. Custom Polymer Modifier Synthesis

    Manufacturers of advanced polymers utilize this isothiocyanate derivative as a reactivity modifier and functional group introducer in specialty elastomers and high-performance plastics. During pre-polymerization or grafting steps, it reacts with monomer chain ends or pendant amine groups under controlled temperature and catalysis, tuning properties such as crosslink density, chemical resistance, and adhesive bonding strength. Strict material handling protocols ensure consistency in composite and resin indices for demanding structural applications.

    Industry compliance standards

    • ISO 14001:2015 Environmental Management in Polymer Processing
    • RoHS Directive (for consumer or E&E polymer parts)
    • ASTM D256 and ISO 11357 for mechanical and thermal property validation
    • UL 94 Flame Retardancy (if for electrical/functional composites)

    Typical usage ratio

    • 0.2–3% by weight in functional polymer modification steps
    • Adjusted according to target crosslink or reactive site density

    Downstream process integration

    • Incorporated at the pre-polymer mixing or post-polymerization reactive modification stage
    • Controlled by feeding rate, catalyst presence, and mixing uniformity

    Final product types

    • Adhesive-grade polymers for industrial assembly
    • Specialty elastomeric blends for automotive or electronics sealing
    • Functionalized engineering plastics for high-end parts
    • Composite materials for aerospace and transport structures
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