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4-Tert-Butylphenyl Isothiocyanate

    • Product Name 4-Tert-Butylphenyl Isothiocyanate
    • Alias p-tert-Butylphenyl isothiocyanate
    • Einecs 246-369-7
    • 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

    276271

    Cas Number 3069-82-5
    Molecular Formula C11H13NS
    Molecular Weight 191.29 g/mol
    Appearance Colorless to pale yellow liquid
    Boiling Point 130-132°C at 17 mmHg
    Density 1.07 g/cm3
    Solubility Insoluble in water, soluble in organic solvents
    Purity Typically ≥97%
    Flash Point 113°C
    Refractive Index 1.600-1.610
    Synonyms 4-tert-Butylphenyl isothiocyanate, PTBP-ITC

    As an accredited 4-Tert-Butylphenyl Isothiocyanate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

    Packing & Storage
    Packing A 25-gram amber glass bottle with a secure screw cap, labeled "4-Tert-Butylphenyl Isothiocyanate," featuring hazard and handling warnings.
    Shipping **Shipping Description for 4-Tert-Butylphenyl Isothiocyanate:** This chemical is shipped in tightly sealed containers, protected from moisture and light. It is classified as hazardous and should be handled according to relevant regulations. Appropriate labeling and documentation are provided, and transportation is typically via ground or air in compliance with international chemical shipping standards.
    Storage 4-Tert-Butylphenyl Isothiocyanate should be stored in a tightly closed container in a cool, dry, and well-ventilated area, away from sources of ignition and incompatible materials such as strong oxidizers or acids. Protect it from moisture and direct sunlight. Use secondary containment if necessary, and label the container clearly. Handle under a fume hood or with appropriate ventilation.
    Application of 4-Tert-Butylphenyl Isothiocyanate

    Applications of 4-Tert-Butylphenyl Isothiocyanate in Industrial Manufacturing

    4-Tert-Butylphenyl Isothiocyanate serves as a specialized intermediate in advanced chemical manufacturing, employed in critical steps for agrochemical synthesis, pharmaceutical research, high-performance polymers, and dye intermediates. Our material undergoes diligent quality control and traceable batch management to ensure its performance in demanding downstream processes. The following application scenarios present practical pathways of use and integration.

    1. Agrochemical Active Ingredient Synthesis

    Leading agrochemical firms use this isothiocyanate as a core building block to introduce functional isothiocyanate groups into pre-emergent herbicide and fungicide actives. Its reactivity supports safe scale-up of downstream cyclization and amidation, enabling the generation of tailored molecular structures to match regulatory residue and stability criteria across different crop protection regimes. Precise metering at strategic synthesis stages minimizes by-products and supports cost-efficient yields.

    Industry compliance standards

    • FAO/WHO specifications for pesticide technical materials
    • EU Regulation (EC) No 1107/2009
    • ISO 9001:2015 quality management system
    • US EPA pesticide registration guidelines

    Typical usage ratio

    • 0.15–0.35 molar equivalents in condensation or nucleophilic addition steps, adjustable per target molecule structure; process engineers determine loading after lab/process validation

    Downstream process integration

    • Introduced in mid-stage batch or semi-continuous reactors following primary substrate activation; may require controlled temperature ramping and pH adjustment for full conversion before subsequent ring formation or side-chain introduction

    Final product types

    • Selective pre-emergent herbicide actives
    • Broad-spectrum fungicide intermediates
    • Seed coating protection agents

    2. Pharmaceutical Intermediate for Drug Discovery

    Medicinal chemistry groups integrate this compound during synthesis of molecular scaffolds used in kinase inhibitors and antimicrobials. It provides selectivity in introducing isothiocyanate moieties onto aromatic platforms, supporting structure–activity relationship studies. Researchers rely on high assay purity and consistency to minimize analytical rework and meet pilot plant scalability needs in regulated environments.

    Industry compliance standards

    • ICH Q7 GMP for Active Pharmaceutical Ingredients
    • USP/NF for ancillary synthetic reagents
    • EDQM CEP procedures (where applicable)
    • 21 CFR Part 211 (cGMP)

    Typical usage ratio

    • 0.10–0.25 mole per mole of substrate, optimized per medicinal target; flexible adjustment per experimental protocol, with precise documentation for batch traceability

    Downstream process integration

    • Employed during late-intermediate functionalization or side-chain modification in multi-step API synthesis; typically dissolved extemporaneously and reacted under inert atmospheres to minimize hydrolysis or unwanted side reactions

    Final product types

    • Experimental kinase inhibitor reference compounds
    • Intermediate structures for antibacterial APIs
    • Lead analogues for small-molecule drug candidates

    3. High-Performance Polymeric Additives

    Polymer industry formulators employ this isothiocyanate for the grafting of functional groups onto specialty polymer chains, targeting specific crosslinking points or compatibility profiles in engineering plastics. The compound's substituent pattern enables precise control over branching and functional site density, particularly within polyamide and polyurethane networks. Effective integration supports downstream mechanical property tuning without undesirable plasticization or discoloration effects.

    Industry compliance standards

    • EU REACH registration and documentation
    • ISO 9001 and ISO 14001 environmental management
    • DIN EN ISO 1043-1 terminology standards
    • Restriction of Hazardous Substances (RoHS) for electronics-adjacent applications

    Typical usage ratio

    • 0.5–2.5% by weight relative to resin backbone, based on required degree of functionalization and target crosslink density; process R&D to confirm mechanical/thermal goals

    Downstream process integration

    • Added during melt extrusion or solution polymerization, typically after monomer charging and prior to chain extension steps; may involve in situ monitoring for uniform dispersion and reactivity efficiency

    Final product types

    • Engineering plastic composites for automotive components
    • Wear-resistant specialty coatings
    • Functional films for electronics

    4. Dye and Pigment Intermediate

    Our clients in the colorant sector use this isothiocyanate as an intermediate for introducing stable functional groups during azo and sulfur dye synthesis. Its aromatic backbone and steric profile enhance dye fastness and compatibility with synthetic fibers. The controlled introduction of this intermediate during diazotization and coupling reactions supports the uniformity and depth of shade in textile and industrial dye applications.

    Industry compliance standards

    • OEKO-TEX® Standard for harmful substances in textiles
    • EN 71-3 (Safety of toys, migration of certain elements)
    • Zhejiang Institute of Textile Testing regulatory requirements (for textile dye use in APAC)
    • ISO 9001:2015 process documentation

    Typical usage ratio

    • 0.8–3.0% by weight of total dye mass, calculated according to intended chromophore intensity and shade requirements; pigment manufacturer determines final loading after pilot batch results

    Downstream process integration

    • Introduced at the coupling or condensation stage following diazonium salt formation; temperature and pH regulation required to preserve isothiocyanate functionality and prevent premature hydrolysis

    Final product types

    • Sulfur dyes for cellulosic fibers
    • Azo dye intermediates for polyester blends
    • Pigmented coatings for specialty inks
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    Certification & Compliance
    More Introduction

    4-Tert-Butylphenyl Isothiocyanate: Hands-On Experience from a Chemical Manufacturer

    Introduction and Product Profile

    For years in production, 4-Tert-Butylphenyl Isothiocyanate has earned its place across chemical synthesis labs and plants. This compound draws attention with its distinct isothiocyanate functionality bound to a tert-butyl substituted aromatic ring. Our process uses refined phenol derivatives as starting materials, taking the time to prevent cross-contamination and ensure consistency across batches.

    From our experience, actual on-site manufacturing catches every nuance in quality that lab-scale syntheses tend to gloss over. 4-Tert-Butylphenyl Isothiocyanate rolls off our reactors with a purity routinely exceeding 98%—we sample directly at the reactor outlet and after purification. Consistency at this scale means no headaches for our customers later in the chain; no mysterious residues, no compatibility issues during downstream processes.

    How 4-Tert-Butylphenyl Isothiocyanate Behaves in Practice

    Seeing this isothiocyanate in daily production has shown us it has some unique quirks. Its pronounced odor can't be mistaken for anything else—engineers mention it within minutes of entering the room. At room temperature, it presents as a clear to pale yellow liquid. We make sure our staff use proper PPE when handling the material, since the isothiocyanate moiety is known to be irritant and moisture-sensitive.

    Most customers come to us because general isothiocyanates do not make the cut for their applications. The addition of a tert-butyl group on the aromatic ring changes its reactivity and physical properties significantly. In a market full of n-butyl or phenyl isothiocyanate products, this structure responds better in systems sensitive to steric hindrance or less prone to unwanted polymerization under mild heat.

    Those using it for surface modification, agrochemical intermediates, or organic synthesis routes notice right away the improved solubility and stability of this compound compared to lower alkyl analogs. Reactions with nucleophiles—think amines or alcohols—progress with more selectivity, leaving fewer by-products. In our batch reactors, side reactions stay manageable, so we recover more product every cycle.

    Key Points for Downstream Users

    Most who approach us operate with batch or semi-batch processes and value quality over lowest cost. By manufacturing 4-Tert-Butylphenyl Isothiocyanate at scale, we tailor each run to reduce off-odors and discoloration, two frequent customer pain points. Some attempts by labs to scale up have ended in runaway reactions or foul-smelling residues. We have tuned our distillation and neutralization steps to control exotherms, minimizing degradation even during large-volume synthesis.

    Users in custom synthesis, particularly those synthesizing bioconjugates, report that this compound offers a milder, more controlled reaction profile when compared to bulkier aryl isothiocyanates. At the production plant, maintaining our storage tanks between 5-25°C prevents unwanted polymerization. We check for any yellow-brown discoloration as a sign of aging or improper storage.

    We have noticed specialty segment customers, especially in pharmaceuticals and diagnostics, prefer our 4-Tert-Butylphenyl Isothiocyanate because it creates more robust linkages in protein labeling. The by-products from the tert-butyl substituted group tend to be easier to separate chromatographically, which matters during final purification. In contrast, less hindered isothiocyanates often leave lingering traces that complicate clean-up.

    Differences from Similar Compounds

    From the manufacturing floor, it’s obvious that this isothiocyanate occupies a space between the simplest aryl and the bulkier, less reactive ones. Take phenyl isothiocyanate: it’s reactive but sometimes too volatile, and its products degrade faster under ambient moisture. With n-butyl derivatives, the chain flexibility increases side reactions. Our product, with its tert-butyl group, brings bulk without breaking down easily, offering better yields for customers.

    During side-by-side test reactions for new clients, 4-Tert-Butylphenyl Isothiocyanate gives smoother profiles in analytical HPLC, with less tailing. This points to its chemical robustness—important for teams running reactions for days rather than hours. Users in materials science explain that its stable ring system forms stronger bonds on polymer substrates, giving longer-lasting performance in coatings or sensors.

    From our QC data, the melting point and boiling point ranges hold tightly batch to batch. A close look shows less fluctuation in vapor pressure, so dispensing and measuring at scale becomes a routine task rather than a cautious experiment. Our partners in electronic chemical divisions value this, noting less drift in performance compared to those using less pure or less thermally stable isothiocyanates.

    Impact on Safety and Handling Routines

    Plant operators flag isothiocyanates as a safety focus year-round. Compared with methyl or ethyl analogs, 4-Tert-Butylphenyl Isothiocyanate calls for less intensive ventilation due to its larger molecule and lower volatility. Repeated sampling and monitoring show exposure levels stay lower over shifts when using tert-butyl substituted products.

    We have faced the occasional surprise; storage conditions directly affect shelf-life. Once, a batch left in direct sunlight polymerized irreversibly, a loss for both us and the end-user. That led us to implement shaded, temperature-controlled storage for every drum and to take an extra round of GC-MS before release.

    For those handling large volumes, our decades in tank filling and drum loading have shown that the thicker viscosity allows for safer pumping; there’s less spillage, and hoses stay clean longer. Our logistics crews confirm this saves hours on maintenance over months, supporting smooth operations for our bulk buyers.

    Quality Control and Assurance

    Quality isn’t just validated by a single purity report. Our procedures require every batch to pass visual inspection for clarity and color, alongside HPLC and GC confirmation of structure. Infrared spectroscopy backs up each lot, paying particular attention to any shifts in the isothiocyanate N=C=S stretch. If we see any deviations, that lot doesn’t leave our facility.

    We’ve learned from the occasional product recall elsewhere in the industry that proper labeling of expiry and manufacture dates pays off. Customers have commented on the transparency of our documentation, especially those comparing files for regulatory compliance. As a manufacturer, this lets us track each container to its original batch records, bolstering confidence for those working in regulated fields.

    Applications in Synthesis and Industry

    Our technical support team gets regular requests for troubleshooting tips. In peptide synthesis, 4-Tert-Butylphenyl Isothiocyanate activates carboxyl and amino groups with high fidelity. Users report stronger, cleaner bonds and a distinctive lack of by-product overlays on final HPLC traces. Agrochemical R&D teams find the steric bulk forms selective thio-ureas, often giving superior in-field shelf life.

    Some users working in specialty polymer domains share that this product’s features allow them to custom-tailor surface properties, achieving targeted wettability or adhesion. Others developing advanced sensors value the tight specification, as even minor impurities in input materials disrupt device reliability.

    Process chemists send feedback about how quickly batch blending and reaction times proceed, giving them a chance to fine-tune output without the constant need for rework or purification. Our own pilot plant uses this compound as a crosslinking agent in specialty resins—yielding consistent, predictable reaction kinetics batch after batch.

    Why Direct Manufacturer Sourcing Matters

    Overseeing every step, we know exactly how our raw materials, intermediates, and finished products look, smell, and behave. Traders or resellers often lack this insight. If a batch ever draws a complaint about trace residues or subpar color, we trace it back ourselves, identifying which reactor, shift, and operator ran the cycle. This traceability reduces risk for formulators on tight delivery windows.

    Large-scale manufacturing also means immediate feedback when regulatory standards shift, or a client’s project demands a new purity profile. With in-house capacity, we rapidly adjust drying times, filter sequences, or even the starting feedstock. This minimizes time to market for our downstream customers compared to outsourcing through distributors.

    At every annual audit, customers see firsthand that process improvements follow safety trends, not simply market prices. In the past, sudden raw material shortages have forced some competitors to seek elsewhere—leading to inconsistent product supply. By keeping procurement and synthesis internal, we manage these risks and share them honestly with our partners.

    Problems and Solutions: Our Chemical Manufacturing Perspective

    On the plant floor, real problems show up in unexpected places. In years past, static build-up during drum filling led to small clumps and dosing errors. Switching to grounded, antistatic polymer drums practically eliminated these issues. Incoming customer complaints dropped, and fewer expensive product returns hit the books.

    Shipping in hot climates once led to several batches polymerizing en route. Adjusting both drum liners and external packaging insulated contents better and meant customers received liquid product, not useless solid lumps. Our trucks now run temperature monitors; if they flag risky levels, drivers receive instant rerouting instructions.

    Some industries, such as diagnostics and nanotechnology, require tighter impurity profiles than older processes offered. Our QC team shifted from single-point purity checks to batch-wide mapping, using automated HPLC screening to catch problems before shipment. End-users commented the improvements saved their own QC departments hours per release, and their feedback sparked additional automation in our plant.

    Supporting Customer Flexibility and Scale

    End users produce everything from grams to tonnes of complex molecules. By running both pilot and full-scale reactors, our own teams encounter the same issues as our customers—scale-up effects, clogged filters, vapor management under variable humidity. Lessons from each batch get folded back into our next production run, which makes for steadier supply and fewer process deviations.

    A large proportion of our clients value open communication—whether connecting to discuss solvent choices, winter storage, or pressure swing options for high-throughput operations. As a manufacturer, we’ve tested every variation in solvent, temperature ramp, and holding time. This means faster troubleshooting for those encountering clouding, layering, or sluggish kinetics.

    Some contract manufacturers ask for custom blending to meet process restrictions. Our facility accommodates these without breaking traceability, making full use of sealed transfer lines and automated drum-filling to minimize environmental exposure. End-users appreciate knowing their drums haven’t passed through untraceable third-party hands.

    Continuous Improvement Based on Real-World Feedback

    Having a stake in both development and production, we solicit and use direct customer feedback. After hearing from several formulation chemists about difficulty dissolving the compound in polar solvents, we tweaked the last purification step, leading to a noticeable increase in purity and solubility. In-process controls at each stage catch deviations early, preventing rework or substandard releases.

    Comparing long-term feedback from end-users and our own R&D, we measure success not by lowest measured impurity, but by which batches lead to the fewest production hiccups for our clients. This approach pays off—repeat business has risen, and users report fewer headaches during their own process optimization.

    New regulations push for lower levels of known and unknown residues in downstream products. We have adapted by doubling down on solvent recycling, closed-system venting, and another round of post-reaction purification. It’s not always sexy, but these steps make for a cleaner, safer, and more compliant product. Our technical dossier now includes every detail from synthesis to waste recovery, available to customers eager for transparency.

    Why Product Consistency and Traceability Matter to Us

    Buyers have explained—time after time—how badly one off-spec load can disrupt schedules and cause missed deadlines. Our own plant operates under similar time constraints, especially during periodic maintenance or upgrades. That’s why all documentation links straight to each material transfer, making every drum fully traceable.

    This focus on traceability has a domino effect. Once, a customer flagged a faint contaminant. By tracking the lot and process step, we determined a minor catalyst variation, corrected the procedure, and updated our SOPs. Sustainable, open reporting helps both our teams and customers minimize downtime and uncertainty.

    Many need to prepare technical validation packages for their own regulators or internal QA teams. Access to ongoing stability data, impurity profiles, and recorded process changes makes their work smoother. Instead of delayed answers or generic certificates, our direct records make audits and compliance a straightforward experience.

    Reducing Risks Associated with Third-Party Sourcing

    We’ve witnessed cases where partners switched to lower-cost suppliers, only to face variable reactivity, odd odors, and inconsistent performance. As a manufacturer, we understand what subpar starting material does to an intricate synthesis, with ripple effects on timelines and budgets. By maintaining direct lines of communication and tightly integrated process control, we shield our customers from these expensive surprises.

    Years of production have taught us to document every blend, solvent, and reaction parameter. We’ve established redundancies so any sudden shift gets caught before product finds its way into customer reactors. Longstanding clients frequently request additional documentation, knowing our transparency prevents costly missteps.

    Unregulated shipments sometimes carry hidden carriers or by-products, a risk for pharmaceutical or optoelectronics producers. Tracing each batch to its original raw input lets customers invest with confidence. Those who have faced problems with cross-border compliance, labeling, or hazardous materials declarations tell us how vital this support is.

    Commitment to Safety, Compliance, and Environmental Responsibility

    Isothiocyanates deserve respect for their reactivity. Having dealt with near-misses and minor spills over the years, safety isn’t an afterthought—it’s baked into each process step. Regular training and comprehensive PPE protocols protect our teams and, by extension, our customers. Every batch receives a full safety assessment and documentation cycle.

    Waste from isothiocyanate production can’t simply be diluted and discarded. Rigorous onsite treatment neutralizes hazardous residues, and emissions monitoring is continuous. We’ve cut solvent discharge by modifying reaction stoichiometry, and annual audits inspire gradual improvements. The record gives employees confidence and lets customers trust our supply is as sustainable as science supports.

    On the regulatory front, every formula change is reported ahead of time to those observing GMP or ISO standards. By providing regular updates and access to compliance files, we associate our name with reliability—not just availability.

    Supporting Development and End-User Innovation

    Some customers push the boundaries of what isothiocyanates can do, testing novel ligands, catalysts, and labeling protocols. Our job includes supplying not only product but also the real-world data that can help make those innovations feasible. Joint problem-solving, fast sample shipments, and early-stage technical partnerships contribute to better outcomes for their R&D teams.

    We encourage customer input on product evolution. Those seeking even tighter impurity control or experimenting with non-standard solvents require a supplier ready to iterate alongside them. Years of working in the field make it clear—progress for our customers drives progress for us too.

    Concrete Differences from Competing Isothiocyanates

    Having observed dozens of downstream projects, the contrast between our 4-Tert-Butylphenyl Isothiocyanate and other isothiocyanates stands clear. The tert-butyl group increases shelf stability, offers greater control during high-temperature or strongly basic conditions, and lowers volatility. This combination reduces the workload for those responsible for material management and batch tracking.

    Labs running pilot syntheses frequently find alternative isothiocyanates more vulnerable to moisture and oxidation, leading to early breakdown or fading. By keeping impurities below publishable detection limits, our product side-steps these issues, meaning cleaner reactions and greater reproducibility. In demanding uses, such as bioconjugate labeling or specialty grafting, these small advantages stack up.

    For quality assurance teams, direct sourcing brings fewer puzzles to unravel. Fewer deviations, easier recordkeeping, and clear, prompt response channels all contribute to a long-term relationship built on reliability and trust.

    Industry Trends and Our Forward-Looking Approach

    Since regulatory demands and technical performance requirements keep rising, manufacturing 4-Tert-Butylphenyl Isothiocyanate calls for ongoing adaptation. Industry interest in greener synthesis, safer handling, and cleaner downstream profiles shapes our R&D priorities too. Trials now focus on minimizing by-products and maximizing atom-efficiency, reducing both environmental footprint and production costs.

    Future plans involve intensified in-line analytics, tighter automated control, and ever more efficient recovery and recycling of solvents. Collaboration with tech-forward customers continues to point us toward new uses and performance enhancements.

    By treating each production run not as a commodity dump but as a partnership with the end-user, we build the trust on which serious innovation depends. We look forward to addressing the next set of challenges, bringing both our manufacturing know-how and real-world experience to the global chemical marketplace.