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3-Fluoro-4-Methylphenyl Isothiocyanate

    • Product Name 3-Fluoro-4-Methylphenyl Isothiocyanate
    • Alias 3-Fluoro-4-Methylphenyl isothiocyanate
    • Einecs 694-020-3
    • 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

    543762

    Productname 3-Fluoro-4-Methylphenyl Isothiocyanate
    Casnumber 135306-73-1
    Molecularformula C8H6FNS
    Molecularweight 167.20
    Appearance Colorless to pale yellow liquid
    Boilingpoint 92-94°C at 10 mmHg
    Purity Typically ≥ 97%
    Density 1.19 g/cm3 at 25°C
    Smiles CC1=CC(=C(C=C1)N=C=S)F
    Inchikey G XXIMPMQXCKZMJ-UHFFFAOYSA-N

    As an accredited 3-Fluoro-4-Methylphenyl 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 labeled "3-Fluoro-4-Methylphenyl Isothiocyanate, 5g." Features hazard symbols, product code, CAS number, and safety instructions.
    Shipping 3-Fluoro-4-Methylphenyl Isothiocyanate is shipped in tightly sealed containers, protected from moisture and light. The chemical is classified as hazardous and must comply with relevant transportation regulations. Packaging includes appropriate labeling and documentation, ensuring safe handling. Shipment typically requires ground or air transport, avoiding extreme temperatures and rough handling.
    Storage 3-Fluoro-4-Methylphenyl Isothiocyanate should be stored in a tightly sealed container in a cool, dry, well-ventilated area away from heat, moisture, and direct sunlight. Keep it separate from incompatible substances such as strong oxidizers and acids. Use appropriate personal protective equipment when handling, and store in a designated chemical storage cabinet for hazardous organic compounds.
    Application of 3-Fluoro-4-Methylphenyl Isothiocyanate

    Applications of 3-Fluoro-4-Methylphenyl Isothiocyanate in Industrial Manufacturing

    3-Fluoro-4-Methylphenyl Isothiocyanate serves as a crucial intermediate in multiple advanced industrial sectors, supporting synthesis and formulation of high-performance end products. Below are detailed industrial application fields, with precise standards, manufacturing use, and integration steps for each scenario.

    1. Pharmaceutical Active Compound Synthesis

    This isothiocyanate forms a key building block in the synthesis of pharmaceutical intermediates for targeted anti-cancer and anti-inflammatory clinical candidates. Medicinal chemistry teams incorporate it during early-stage scaffold modifications to introduce fluorinated aromatic functionality, enhancing drug metabolism and activity profiles. We supply to GMP-compliant API manufacturing and custom synthesis firms, who harness its unique reactivity in selective condensation reactions for producing small molecule drugs and kinase inhibitors.

    Industry compliance standards

    • ICH Q7 Good Manufacturing Practice for Active Pharmaceutical Ingredients
    • USP and Ph. Eur. monograph compliance for impurities and residual solvents
    • FDA cGMP 21 CFR parts 210/211 requirements
    • SOPs for controlled handling and analytical verification

    Typical usage ratio

    • Ranges from 1.05 to 1.20 molar equivalents versus amine coupling partners
    • Adjusted based on desired substitution pattern and batch size
    • Stoichiometry closely monitored to minimize excess reactive intermediates
    • Fine-tuned depending on downstream OSD or injectable final dosage form requirements

    Downstream process integration

    • Introduced during core intermediate functionalization steps
    • Participates in solution-phase nucleophilic addition under inert conditions
    • Serves as precursor before purification, crystallization, and salt formation
    • Subjected to in-process QC (HPLC, NMR, GC) during batch release

    Final product types

    • Small molecule investigational anticancer agents
    • Enzyme inhibitors with fluorinated aromatic moieties
    • API intermediates for next-generation targeted therapies
    • Reference standards for regulatory submission portfolios

    2. Agrochemical Intermediate Manufacturing

    Downstream agrochemical synthesis uses this isothiocyanate in constructing selective herbicide and pesticide molecules. Our technical-grade supply supports fine chemical companies producing active agrochemical ingredients, particularly those seeking enhanced biocidal potency and weather resistance. The isothiocyanate group allows efficient coupling and ring closure reactions, often under phase-transfer or base-catalyzed conditions, favoring high-yield scalable production.

    Industry compliance standards

    • FAO and WHO specifications for pesticide technical materials
    • ISO 9001 quality system for batch traceability
    • REACH (EC) No 1907/2006 chemical registration guidelines
    • GLP (OECD) for toxicological evaluation

    Typical usage ratio

    • 0.8 to 1.3 molar equivalents relative to amine or hydrazine partners
    • Adjusted for target molecular design and impurity profile
    • Process optimization minimizes unreacted isothiocyanate in final technical concentrate
    • Ratios validated during pilot- and commercial-scale introductions

    Downstream process integration

    • Charged into controlled addition vessel equipped with reflux and external cooling
    • Reacts with nucleophilic intermediates to form ureas or thioureas
    • Subject to aqueous work-up and phase-separation
    • Feeds directly into formulation plants for further adjuvant and dispersant addition

    Final product types

    • Seed treatment compounds with fluorinated aromatic activity
    • Herbicide actives such as substituted ureas and thioureas
    • Broad-spectrum insecticide technical intermediates
    • Pesticide microcapsule precursors

    3. Specialty Dye Intermediate Production

    The chemical structure enables dye manufacturers to create high-stability, lightfast pigments for inks, textiles, and plastics. Dye intermediates incorporate the isothiocyanate via nucleophilic aromatic substitution or condensation, imparting enhanced fastness and color intensity. We supply high-purity product adapted for batch or continuous-flow dye production environments, where consistent purity is critical for coloration accuracy in high-value end-use applications.

    Industry compliance standards

    • ISO 9001/14001 management systems for specialty chemicals
    • OEKO-TEX® Standard 100 requirements for hazardous substance control in dyes
    • EN 71-3:2019 for pigments in toys and children's textiles
    • RoHS Directive (EU) 2015/863 for electronics coloration

    Typical usage ratio

    • Typically 1.00 to 1.10 molar equivalents in condensation routes
    • Adjusted based on substrate reactivity and substituent effect
    • Ratios monitored to maintain chromophore target specifications
    • Small pilot runs verify purity before scale-up

    Downstream process integration

    • Dosed into dye-precursor suspension under controlled temperature conditions (60–120°C)
    • Participates in multi-step synthesis toward final chromophore
    • Intermediate isolated by vacuum filtration and recrystallization
    • Feeds into pigment granulation or liquid colorant dispersion units

    Final product types

    • Textile dyes with enhanced wash- and light-fastness
    • Specialist ink ingredients for digital and offset printing
    • Polymer masterbatch colorants for plastics
    • High-performance coatings pigments

    4. Electronic and Optical Material Precursors

    This isothiocyanate serves as a targeted building block for OLED and optoelectronic material synthesis. Specialty electronics firms use it to construct molecular frameworks critical for organic light-emissive diodes, liquid crystal materials, and other advanced photonic polymers. The unique fluorine substitution supports thermal stability and electronic tuning, forming part of functional monomer or oligomer assemblies through controlled stepwise reactions.

    Industry compliance standards

    • IEC 62474 material declaration requirements (electronic components)
    • ISO 14001 and ISO 9001 for traceability and environmental management
    • RoHS Directive (EU) 2015/863 compliance for hazardous substances
    • UL 94 safety testing for flame retardancy in final applications

    Typical usage ratio

    • 0.9–1.2 equivalents in relation to co-monomers or aryl amines
    • Adjusted for polymer chain length and physical performance targets
    • Refined during laboratory scale-up to minimize off-spec by-products
    • Subject to end-use performance review (electronic/OPV lab validation)

    Downstream process integration

    • Fed into batch or continuous polymerization reactors
    • Reacts via condensation to generate functionalized monomers or aryl thioureas
    • Purified intermediates processed into film-casting or spin-coating units
    • QC analysis (DSC, GPC, UV-Vis spectroscopy) performed on each batch

    Final product types

    • OLED and OPV molecular dopants
    • Optical grade polymers for light-guiding and waveguide films
    • Liquid crystal alignment materials
    • Anti-static polymer coatings for electronics

    5. Custom Polymer Modifier Synthesis

    Polymer compounding and specialty materials firms use this isothiocyanate to graft functional groups onto base resins, producing polymer modifiers with enhanced thermal, chemical, or mechanical profiles. The aromatic-fluorinated motif provides tailored compatibility for engineering plastics and fluoropolymer systems. Industrial customers integrate the isothiocyanate at the chemical modification stage, often in the presence of selected base resins and process catalysts.

    Industry compliance standards

    • ISO 11357 for polymer DSC analysis and quality control
    • ASTM D3418 thermal property testing of polymers
    • GMP for indirect food contact applications (per 21 CFR 174-178, where relevant)
    • REACH Annex XVII for substance handling and polymer additives

    Typical usage ratio

    • 0.5–2.0 wt% in finished polymer compound, varying by performance goal
    • Fine-tuned through blend trials and pilot extrusion runs
    • May increase to 3 wt% for highly engineered specialty plastics
    • Formulation optimized by impact/thermal resistance testing

    Downstream process integration

    • Added during melt-kneading or reactive extrusion of polymers
    • Can function as chain modifier or surface-grafting agent
    • Compatible with both batch and continuous compounding workflows
    • QC by FTIR, GPC, and TGA of finished granules

    Final product types

    • Modified engineering thermoplastics (PEEK, PPS, ETFE blends)
    • Anti-corrosive coating resins
    • Custom elastomeric sealing materials
    • High-durability industrial parts (valves, connectors)

    6. Fine Chemical Research and Diagnostic Kit Components

    R&D laboratories and biotech firms rely on this isothiocyanate as a reactive labeling and conjugation agent in analytical chemistry. Its aryl-fluoro scaffold is used to derivatize proteins, amino acids, and other biomolecules for spectroscopic and chromatographic detection. Our supply chain supports regulated research use, with attention to traceability and contaminant control for downstream kit assembly and QC sample production.

    Industry compliance standards

    • ISO/IEC 17025 accredited laboratory requirements
    • GLP practices for analytical chemical reagents
    • USP General Chapter <621> Chromatography quality guidelines
    • Sigma-Aldrich and Merck analytical grade specifications for research reagents

    Typical usage ratio

    • 0.5–1.1 equivalents versus the functional group to be labeled
    • Ratios adjusted to reduce unreacted agent and background signal
    • Small-scale and microgram-level usage prevalent in analytical workflows
    • Final levels optimized through method development in proteomics and environmental analysis

    Downstream process integration

    • Reacted with analyte, protein, or amino acid stock under controlled pH and temperature
    • Used for derivatization prior to LC/MS or fluorescence detection
    • Excess reagent removed via spin-filter or LC purification
    • Storage in pre-formulated diagnostic kits, shipped under validated conditions

    Final product types

    • Bioanalytical labeling reagents for ELISA/Kits
    • Reference and internal standards for chromatography
    • Synthesized tagged proteins for medical diagnostics
    • Fine chemical research reagents for structure elucidation
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    Certification & Compliance
    More Introduction

    3-Fluoro-4-Methylphenyl Isothiocyanate: Practical Experience from Our Lab

    The Chemistry Behind Our Approach

    Working with aromatic isothiocyanates in our facility has taught us plenty about the nuances of handling and using these compounds. Complex synthesis requires precision and patience, particularly in the case of 3-Fluoro-4-Methylphenyl Isothiocyanate. Over the years, we've learned the quirks of its reactivity, and have optimized our processes to deliver it in a consistently pure form.

    The backbone of this molecule, a fluorinated methylphenyl ring bearing the isothiocyanate group, brings together a blend of electronic effects. The presence of fluorine at the meta position tunes the electronic density, altering its reactivity compared to the unsubstituted or solely methylated analogues. We see these subtle changes translate directly into reaction outputs for our clients.

    Direct Feedback from Synthesis Lines

    Operators and analytical chemists in our production lines work hands-on every day, monitoring reaction progress, distillation, and purification. With 3-Fluoro-4-Methylphenyl Isothiocyanate, stability during isolation can become a challenge due to the inherent reactivity of isothiocyanate groups. To address this, we focus on gentle temperature control and rapid work-up post-synthesis. We've observed that avoiding prolonged exposure to elevated temperatures helps keep the product from breaking down, which leads to higher yields and more reliable supply.

    Working up numerous batches, it's rare to encounter the stubborn byproducts sometimes seen with less meticulous processing. The purification stage brings its own lessons. Column chromatography parameters require regular adjustment because subtle variations in feed material or environmental factors influence retention times. Over time, we settled on a preferred set of solvents and packing materials for our columns, balancing throughput and purity without excessive solvent waste.

    Internal quality control labs take repeated NMR, IR, and GC/MS measurements to confirm the absence of traces from precursors or solvents. Customer comments sometimes prompt us to dig deeper; if even a hint of an impurity appears post-shipping, we investigate the root cause—whether packaging, storage, or analytical technique contributes. This active loop keeps us improving.

    Specifications That Reflect Practical Chemistry

    We manufacture 3-Fluoro-4-Methylphenyl Isothiocyanate in batches ranging from small kilo runs for startups to larger orders supporting established pharmaceutical R&D. Typical purity runs above 98% by GC, with colorless to pale straw liquid as the standard. Density and refractive index stay tight within recognized chemical standards. Since moisture picks up can affect the compound, special attention goes into drying and packing with inert gas blankets, particularly for longer shipments or humid climates.

    Safety in the plant matters equally. Nearly every operator carries out routine leak checks and glove compatibility tests because isothiocyanates can sensitize exposed skin. Some older engineers still recall days when bulk handling took place under less ventilation. Now, our team uses purpose-built gloveboxes for open manipulations and ensures air exchange rates far exceed local requirements. These investments protect both the crew and the product’s integrity.

    Why Research and Manufacturing Teams Select This Molecule

    Customers in the pharmaceutical sector share with us that 3-Fluoro-4-Methylphenyl Isothiocyanate gives them access to unique intermediates. Medicinal chemists value the fluorine's impact on metabolic stability, while the isothiocyanate moiety serves as a flexible handle for attaching a wide variety of side chains through nucleophilic additions. From our perspective, the compound's popularity rests on its strong electrophilicity, which unlocks new options in amine or thiol coupling not always available with the chloro or bromo derivatives.

    Over the past decade, we've noticed an uptick in requests for this specific isothiocyanate, correlating with a broader interest in fluorinated building blocks. Clients often tell us that incorporating the 3-fluoro substituent alters the binding profile and half-life of lead compounds under development. A fine balance exists—while the methyl group boosts lipophilicity and influences solubility, the electron-withdrawing fluorine offers metabolic resilience. This dual action opens doors for those who want to explore SAR (structure-activity relationship) studies more broadly.

    Some labs working on agrochemical actives have shared feedback about the unique reactivity compared to plain 4-methylphenyl isothiocyanate. The fluorinated version often reacts more selectively, leading to higher yields when targeting critical intermediates or end products. These practical results have fed into our ongoing efforts to produce the material with even stricter quality controls.

    Comparisons with Similar Building Blocks

    Back-to-back lab trials in our custom synthesis division often pit 3-Fluoro-4-Methylphenyl Isothiocyanate against close rivals: parent methylated isothiocyanates, or fluorophenyl isothiocyanates without the methyl group. What consistently stands out is the difference in reactivity pattern. For example, the addition of benzylamines goes with fewer side products and often cleaner downstream purification. This matters greatly when scaling up or when regulatory filings demand batch-to-batch reproducibility.

    Many colleagues point out that the fluorine-methyl pairing changes physical properties, particularly vapor pressure and boiling range. This makes storage and transfer slightly easier. Some older products were notorious for stinging vapors after opening—this grade carries a more manageable odor profile, making work at the bench and in the warehouse more comfortable for staff.

    Decisions by formulation chemists in the agrochemical and pharmaceutical sectors hinge on selectivity and handling. Reports from clients have shown that reactions involving our 3-fluoro-4-methyl compound proceed in better yield and with more structural consistency than with other similar molecules. These direct comparisons during real-world campaigns continue to guide our selection of raw materials and purification strategies.

    Serving the Needs of Chemical Researchers and Producers

    Those who design libraries of intermediates often face pressure to deliver results on realistic timelines. In our own work developing reference samples for analytical and QC labs, we've noticed that even small differences in functional group orientation can have a big impact on the kinds of analogues that can be accessed. This product, with its specific substitution pattern, gives synthetic chemists more flexibility than non-fluorinated or para-fluoro options.

    Process engineers in our facility regularly provide feedback to our R&D group. They flag if viscosity, color, or volatility changes, which sometimes signals issues upstream in the synthesis. This kind of hands-on feedback empowers our technical staff to troubleshoot in real time, enhancing reliability for both specialty and large-volume customers.

    End users appreciate our willingness to adapt delivery formats. Over the last year, we've packed for both automated liquid handlers common in modern screening labs and more traditional glass ampoules requested by academic collaborators. Keeping product exposure low during filling and sealing prevents degradation. We take pride in sending samples that arrive fresh, with no discoloration or decomposition.

    Continuous Improvement from Experience

    Years in manufacturing teach the value of process control documentation. Our logs show spikes in reactivity or purity deviations often trace back to changes in raw material lots. Rather than accept this as normal, our team engages upstream suppliers directly. We've spent time at their facilities to review their techniques, and these partnerships pay off in a more predictable and uniform product on our side.

    Investing in operator education pays dividends in quality. Regular training on new safety protocols, analytical methods, and emerging literature keeps our team engaged. It’s not uncommon for one of our younger chemists to spot a subtle shift in chromatographic baseline or IR signature and report it before any probe or GC flag appears. This vigilance is what sets a manufacturer’s product apart from off-the-shelf or redistributed material.

    As our plant serves global clients, we've learned to adjust specifications for temperature stability and shelf life to account for different climate zones. Warehousing stability trials conducted in both high-humidity and low-humidity environments provide real-world data on product robustness. Such work shapes both our packaging choices and instructions for storage conditions shipped with every batch.

    Responding to Market Needs and Regulatory Shifts

    Our regulatory affairs team tracks evolving chemical safety standards. Stringent new requirements in some regions have led to even more rigorous handling protocols for isothiocyanates. We collaborate with customer compliance teams to adjust documentation and batch record-keeping as standards shift. The dialogue between our chemists and regulatory experts shortens lead times and ensures uninterrupted supply in tightly-controlled markets.

    Some years, the demand for specialized isothiocyanates surges due to new drug or crop protection projects. We build flexibility into our production system to accommodate these waves, ramping up or scaling down as needed without major disruption. Feedback from end users often drives these adjustments, as they alert us to upcoming project launches or planned scale-ups. Our site managers keep plenty of raw intermediates on hand to shorten production cycles.

    As green chemistry picks up pace across the industry, we participate in trials to minimize waste and boost solvent recovery. Our plant’s in-house waste management protocols focus on reducing emissions of isothiocyanate vapors, both for staff safety and environmental compliance. These operational realities guide our R&D into safer, cleaner reaction pathways that still deliver the purity and reactivity customers need.

    Real-World Impact: Customer Applications and Observations

    Academic partners working on new amide or thiourea linkages frequently mention the selectivity improvements gained by using our batch-tested 3-fluoro-4-methyl derivative. The improved handling safety, compared to rougher grades or older stock, allows them to focus on reaction innovation instead of troubleshooting feeding lines. Pharmaceutical groups often disclose that the cleaner background in their analytical traces helps streamline their impurity profiling process.

    We occasionally receive requests for custom packaging or temperature-controlled shipping for very sensitive projects—responding to these needs has deepened our understanding of how climate and logistics interact with chemical stability. Several teams developing advanced spectroscopic methods have praised the clean NMR and MS signatures associated with this grade. They attribute smoother scale-up and downstream chemistry to both consistent supply and batch reproducibility.

    Our client conversations bring up practical challenges, too. For example, some users report that solvent compatibility varies from one isothiocyanate to the next, affecting solubility in reaction solvents of choice. Direct advice from our technical staff, gained over years of hands-on work, helps steer selection either toward or away from certain mixtures, shortening their route to successful reactions.

    Looking Forward: Meeting Tomorrow’s Challenges

    We treat feedback loops with both customers and suppliers as opportunities rather than chores. As new reaction types involving isothiocyanates emerge—such as those using non-traditional nucleophiles—our development chemists stay ready to explore alternative work-up protocols or stabilization agents. Regular contact with researchers at cutting-edge pharmaceutical and agrochemical firms keeps us aware of demands for higher selectivity, reduced side reactions, or stricter impurity profiles.

    Ongoing investment in analytical instrumentation serves both internal and customer-facing quality assurance needs. Recently, we introduced higher-resolution LC/MS and two-dimensional NMR testing. These tools grant earlier detection of minor impurities or potential contaminants, translating into faster response and better customer trust.

    Employees across production lines, logistics, QC, and regulatory teams remain open to hands-on training. We hold sessions focused on new research findings and operational best practices, so craft knowledge doesn’t reside with one person alone. This culture carries forward our commitment to supply safe, reliable, and well-characterized 3-Fluoro-4-Methylphenyl Isothiocyanate, batch after batch.

    Our Commitment as a Manufacturer

    Making 3-Fluoro-4-Methylphenyl Isothiocyanate isn’t simply an exercise in following recipes. From raw reagent selection and temperature profiles to packaging workflows and regulatory engagement, our entire operation adapts to challenges as they arise. Fielding requests for tailored deliveries, troubleshooting analytical quirks, and acting quickly when supply chain bottlenecks threaten to delay an urgent research project—that’s the daily reality of a chemical manufacturer today.

    Every drum, flask, and ampoule leaving our facility carries the weight of our team’s cumulative experience. Technical staff keep records not just for compliance but as a living library, so each new challenge builds on past solutions. Our approach values transparency and direct communication, both internally and with our customers, grounded by evidence gained on the factory floor and reinforced by repeatable, high-quality results.

    We see ourselves as more than just suppliers; our role connects us to innovations happening across chemistry, from discovery to scale-up. Each success story shared by a researcher or formulation chemist spurs us on. 3-Fluoro-4-Methylphenyl Isothiocyanate remains more than a commodity here—it’s the product of hard-earned knowledge, continual improvement, and a genuine commitment to advancing chemical science through practical experience.