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3-(Methylthio)Phenyl Isocyanate

    • Product Name 3-(Methylthio)Phenyl Isocyanate
    • Alias m-Tolyl isothiocyanate
    • Einecs 607-490-4
    • 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

    372294

    Chemical Name 3-(Methylthio)Phenyl Isocyanate
    Cas Number 15329-40-7
    Molecular Formula C8H7NOS
    Molecular Weight 165.21 g/mol
    Appearance Colorless to pale yellow liquid
    Boiling Point 119-120 °C at 20 mmHg
    Density 1.193 g/mL at 25 °C
    Refractive Index n20/D 1.613
    Flash Point 128 °C
    Storage Conditions Store under inert gas, at 2-8 °C
    Solubility Reacts with water
    Smiles CSC1=CC(=CC=C1)N=C=O

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

    Packing & Storage
    Packing Brown glass bottle containing 25 grams of 3-(Methylthio)Phenyl Isocyanate, sealed with a secure cap and labeled for laboratory use.
    Shipping 3-(Methylthio)Phenyl Isocyanate should be shipped in tightly sealed containers, away from moisture, heat, and incompatible substances. Use secondary containment and proper labeling. Handle as a hazardous material—ensure compliance with local, national, and international regulations, and provide necessary documents, including safety data sheets, during transport.
    Storage 3-(Methylthio)Phenyl Isocyanate should be stored in a cool, dry, and well-ventilated area, away from heat, moisture, and ignition sources. Keep the container tightly closed and protected from light. Store separately from incompatible materials such as strong acids, bases, and oxidizing agents. Use appropriate chemical-resistant containers and ensure labeling is clear and intact to prevent accidental exposure.
    Application of 3-(Methylthio)Phenyl Isocyanate

    Applications of 3-(Methylthio)Phenyl Isocyanate in Industrial Manufacturing

    As an original producer of 3-(Methylthio)Phenyl Isocyanate, we supply this specialty isocyanate for use in multiple advanced industrial sectors. Our applications support downstream manufacturers in fine chemicals, active intermediates, polymers, pigments, and electronics, ensuring process compatibility and compliance with sector-specific regulations.

    1. Synthesis of Agrochemical Active Intermediates

    Agrochemical manufacturers employ 3-(Methylthio)Phenyl Isocyanate as a key building block for the synthesis of selective herbicides and fungicide actives. The isocyanate’s thiomethylaryl functionality allows precise modification during coupling and cyclization reactions, delivering intermediate moieties ideal for further elaboration in multi-step synthesis. Controlled addition and temperature management enable high assay yields, while pre-weighing and solution feeding during scale-up ensure batch consistency aligned with downstream product registration protocols.

    Industry compliance standards

    • FAO/WHO International Code of Conduct on Pesticide Management
    • REACH Registration (EC 1907/2006) for Environmental and Worker Safety
    • ISO 9001:2015 Quality Management for Chemical Synthesis
    • GLP (Good Laboratory Practice) for Analytical Traceability

    Typical usage ratio

    • 0.1–0.25 molar equivalents against main reactant, adjusted by target intermediate molecular weight and reaction route
    • Excess up to 5% to ensure complete functionalization in multi-component reactions

    Downstream process integration

    • Added during early-stage isocyanate coupling or ring closure step in batch synthesis
    • Handled in closed reactors with in-line feed calibration for precise isocyanate addition
    • Followed by purification and assay verification prior to downstream formulations

    Final product types

    • Herbicide active intermediates (e.g., aryl carbamates, phenylurea derivatives)
    • Fungicide pre-cursors for triazole and strobilurin synthesis
    • Custom agrochemical API scaffolds for patent-protected products

    2. Pharmaceutical API Intermediate Manufacturing

    The aromatic isocyanate structure enables direct synthesis of key carbamate and urea functionalities during pharmaceutical intermediate manufacturing. Medicinal chemistry labs and commercial API plants utilize this compound in stepwise API intermediate construction, emphasizing controlled conversion yields and impurity management. The process typically involves solution-phase and solid-phase isocyanate reactions, monitored for precise stoichiometry and optimized for GMP traceability across both kilo-lab and commercial-scale execution.

    Industry compliance standards

    • ICH Q7: Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • USP, Ph. Eur. monographs (if applicable to intermediate routes)
    • FDA CFR 21 Part 211 (cGMP for Finished Pharmaceuticals)
    • ISO 14001:2015 for Environmental Controls

    Typical usage ratio

    • 1:1 molar ratio with nucleophilic reactant (amine, alcohol) in carbamate or urea formation, adjustable for impurity constraints
    • 0.05–0.10 g/g basis against target intermediate in step-driven syntheses

    Downstream process integration

    • Charged to primary or secondary isocyanate condensation steps in multi-stage API intermediate synthesis
    • Post-reaction solutions are immediately quenched and neutralized under controlled pH and temperature conditions
    • Routine HPLC and GC monitoring for isocyanate conversion and residuals

    Final product types

    • Pharmaceutical intermediates with aryl carbamate or N-phenyl urea functionalities
    • Specialty kinase inhibitor scaffolds
    • API pre-cursors for oncology and anti-inflammatory drugs

    3. Polyurethane Elastomer and Coating Prepolymer Synthesis

    This chemical’s mono-isocyanate character makes it suitable as a capping agent or chain extender in specialty polyurethane elastomer and coating prepolymer formulations. Industrial users incorporate it to control cross-link density and introduce aromatic sulfur-containing moieties for fine-tuning mechanical attributes. Its reactivity profile supports precise batch or continuous dosing, and thermal/solvent-specific conditions are modulated to accommodate downstream process safety and performance validation.

    Industry compliance standards

    • ISO 9001:2015 for Production Batch Control
    • ASTM D3574 and D412 for Elastomer Properties
    • OSHA 29 CFR 1910.1200 (HazCom) for Isocyanate Handling
    • REACH authorization and safety dossier for isocyanates

    Typical usage ratio

    • 0.5–3 wt% based on total polyol or prepolymer resin mass
    • Exact dosage defined by end-use modulus targets and gel time requirements

    Downstream process integration

    • Dosed during the final prepolymer mixing cycle or used as a chain terminator in post-polyol addition
    • Integrated with polyol streams under inert atmosphere within jacketed reactors
    • In-line IR monitoring for isocyanate index and completion

    Final product types

    • Flexible and semi-rigid polyurethane elastomers
    • Specialty surface coatings for automotive, electronics, and heavy machinery
    • Non-yellowing, high-durability prepolymers

    4. Synthesis of Organic Pigments and Dyes

    Dye and pigment manufacturers leverage the isocyanate as a key coupling agent for introducing thiomethyl-substituted aromatic units into classical pigment frameworks. The resulting dyes exhibit enhanced solubility and chromatic stability for technical inks and plastic coloration. Process control ensures precisely metered addition, targeting equivalency with the core chromophore. Controlled temperature and mixing protocols during coupling prevent unwanted side-reactions, aligning with industry-specific purity and color consistency standards.

    Industry compliance standards

    • EU Regulation (EC) No. 1272/2008 (CLP) for Chemical Classification
    • EN 71-3 for Toy and Textile Pigment Safety
    • ISO 9001/ISO 14001 for Consistent Pigment Manufacturing
    • GMP Guidance for Food-Contact Pigments (when applicable)

    Typical usage ratio

    • Stoichiometric equivalency (1 mol per mol of amino, hydroxy, or azocoupling partner)
    • 0.2–2.5 wt% relative to total pigment batch, adjusted for shade depth and fastness requirements

    Downstream process integration

    • Introduced after formation of the chromogenic core, typically during final coupling or substitution
    • Maintained under controlled temperature (<40°C) and inert headspace
    • Post-reaction slurry purification and particle size control

    Final product types

    • Solvent-dye intermediates for inkjet and technical printing
    • Aromatic pigment dispersions for plastic, fiber, and polymer coloration
    • Stable pigment lakes for electronic visualization and specialty coatings

    5. Advanced Electronic Material Intermediates

    Specialty electronics manufacturers utilize the isocyanate in the design of building blocks for conductive polymers and specialty resins, where incorporation of the thiomethylaryl group modifies polarity, adhesion, and thermal durability. Accuracy in dosage and purity is essential to meet downstream requirements for semiconductor-grade inputs. Integration into condensation and functionalization steps are performed under stringent cleanroom or dry-room protocols, backed by batch-specific analytical and purity specifications to comply with high-reliability electronics standards.

    Industry compliance standards

    • IEC 60068-2 for Environmental Testing of Electronics Materials
    • IPC-4101 for Base Materials in Printed Circuit Boards
    • ISO 14644-1 for Cleanroom Production Standards
    • RoHS Directive (2011/65/EU) Material Content Restrictions

    Typical usage ratio

    • 0.1–0.8 molar equivalents against diol/diamine base input in specialty resin formation
    • Adjusted below 1 wt% for high-purity low-volume electronics applications

    Downstream process integration

    • Dosed in monomer or oligomer functionalization step for advanced resin engineering
    • Mixed under dry nitrogen or argon to exclude water and oxygen
    • Always followed by vacuum drying and spectrometric verification

    Final product types

    • Electronic-grade polyurethanes for encapsulation and conformal coatings
    • Specialty resins for display film bonding
    • Conductive polymer intermediates for sensors and flexible electronics
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