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4-Tert-Butylbenzonitrile

    • Product Name 4-Tert-Butylbenzonitrile
    • Alias p-Cyano-tert-butylbenzene
    • Einecs 220-945-4
    • 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

    927583

    Chemical Name 4-Tert-Butylbenzonitrile
    Cas Number 728-59-4
    Molecular Formula C11H13N
    Molecular Weight 159.23 g/mol
    Appearance White to off-white crystalline powder
    Melting Point 80-83°C
    Boiling Point 273-274°C
    Density 1.01 g/cm3
    Solubility Slightly soluble in water, soluble in organic solvents
    Flash Point 112°C
    Purity Typically ≥98%
    Smiles CC(C)(C)C1=CC=C(C#N)C=C1

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

    Packing & Storage
    Packing A 100g amber glass bottle labeled "4-Tert-Butylbenzonitrile," sealed with a screw cap, features hazard symbols and handling instructions.
    Shipping 4-Tert-Butylbenzonitrile is shipped in tightly sealed containers to prevent moisture and contamination. It is typically transported as a solid, at ambient temperature, and in accordance with local and international regulations for hazardous and organic chemicals. Proper labeling and documentation are included to ensure safe and compliant delivery.
    Storage 4-Tert-Butylbenzonitrile should be stored in a cool, dry, and well-ventilated area, away from sources of ignition and incompatible substances such as strong oxidizers. Keep the container tightly closed and protected from light and moisture. Store at room temperature and ensure proper labeling. Handle with appropriate personal protective equipment to avoid inhalation, ingestion, and skin or eye contact.
    Application of 4-Tert-Butylbenzonitrile

    Applications of 4-Tert-Butylbenzonitrile in Industrial Manufacturing

    As a specialized producer, we deliver 4-tert-Butylbenzonitrile to established sectors where its defined aromatic nitrile structure enables precise synthesis steps, performance optimization, and compliance with international quality standards. The following outlines key downstream industries backed by practical formulation usage and real regulatory frameworks.

    1. Intermediate in Pharmaceutical Synthesis

    Pharmaceutical manufacturers employ this compound as a core intermediate in constructing complex active pharmaceutical ingredients (APIs) through selective functionalization of the aromatic ring. Its tert-butyl substitution ensures regioselective transformations, supporting targeted synthesis routes including amide coupling, Grignard reactions, and reduction steps. 4-tert-Butylbenzonitrile frequently enters multi-step batch or continuous processes, where its controlled reactivity and purity are critical in maintaining batch consistency and final API compliance.

    Industry compliance standards

    • ICH Q7 (Good Manufacturing Practice for Active Pharmaceutical Ingredients)
    • USP–NF, Ph. Eur., JP for downstream APIs
    • 21 CFR Part 211 (US FDA cGMP)
    • REACH Annex XVII (EU chemical safety)

    Typical usage ratio

    • 0.5–5 mole equivalents relative to targeted core structure, based on synthetic step and pathway design
    • Purity typically at ≥99.0% to minimize side-product formation

    Downstream process integration

    • Introduced during nitrile-to-amide or nitrile-to-amine conversion reactions after Stage 1 aromatic assembly
    • Serves as the substrate for hydrogenation, hydrolysis, or coupling with protected amino or carboxylic acids during intermediate buildup

    Final product types

    • Cardiovascular APIs
    • Central nervous system reactive intermediates
    • Antihistamine pharmaceutical bases
    • Benzamide derivative drugs

    2. Agrochemical Synthesis (Herbicide and Fungicide Intermediates)

    Agrochemical formulators use 4-tert-Butylbenzonitrile as a core aromatic building block when synthesizing advanced herbicides and fungicides. By providing stable, sterically hindered nitrile groups, it facilitates nucleophilic aromatic substitution and selective ring modifications. Integration often begins in the chlorination or hydrolysis reaction stages, ensuring product specificity and reduced byproduct formation critical for end-user compliance and environmental safety.

    Industry compliance standards

    • FAO/WHO Specifications for Plant Protection Products
    • EPA 40 CFR Part 180 (Tolerances and exemptions for pesticide chemical residues)
    • ISO 9001:2015 for quality management in agrochemical manufacturing
    • REACH Registration (Annex VII-X for environmental and safety assessments)

    Typical usage ratio

    • 5–15% w/w in formulation steps
    • Adjusted based on downstream activity profile and designed molecular scaffold

    Downstream process integration

    • Feeds into aromatic nitrile chlorination, then direct coupling or etherification
    • Forms the backbone for subsequent functionalization into urea or amide herbicides and triazole fungicides

    Final product types

    • Selective post-emergence herbicides
    • Phenylamide fungicides
    • Nitrile-based agrochemical intermediates
    • Custom crop protection agents

    3. Liquid Crystal Materials Manufacturing

    In advanced electronics, 4-tert-Butylbenzonitrile is essential for synthesizing high-performance liquid crystal (LC) compounds. Its structural rigidity and stable nitrile group enhance molecular alignment and thermal properties in LC host matrices. Manufacturers introduce it during key Suzuki or Heck couplings to tailor mesogenic properties, ultimately optimizing switching speed and contrast in display panels. Precise batch control is required to meet stringent optoelectronic standards and functional reproducibility.

    Industry compliance standards

    • RoHS 2011/65/EU (Restriction of Hazardous Substances in electronics)
    • IEC 61249-2-21: Halogen-free material requirements
    • QC compliant with ISO 9001 for electronic chemical manufacturing
    • REACH SVHC monitoring (Substances of Very High Concern)

    Typical usage ratio

    • 1–10% w/w in mesogen precursor blends
    • Adjusted according to LC type, molecular weight, and application grade (e.g., TFT LCD, OLED panels)

    Downstream process integration

    • Used during intermediate synthesis for core rigid rod or biphenyl assembly
    • Introduced prior to final polymerization or mixture formulation for LC alignment optimization

    Final product types

    • Twisted nematic and in-plane switching (IPS) LC panels
    • Advanced thin-film transistor (TFT) displays
    • Specialty liquid crystal monomers/oligomers
    • Optoelectronic grade liquid crystal mixtures

    4. UV-Cure Resin and Polymer Modifier Synthesis

    Within the specialty polymer and coatings sector, our material serves as a key intermediate for producing UV-cure acrylates and impact-resistant resins. Its aromatic ring with tert-butyl protection strengthens chemical stability while nitrile groups support rapid photoinitiation under UV exposure. It enters as a monomeric modifier during bulk polymerization or chain-extension steps, delivering controlled polarity, crosslinking capability, and enhanced resistance performance in final coatings or adhesives.

    Industry compliance standards

    • ISO 10993-5: Biological evaluation in case of medical device coatings
    • EN 71-3:2019 (Toy safety for coatings)
    • ASTM D7767 (UV-Curable Resin testing)
    • EU REACH and GHS labeling requirements

    Typical usage ratio

    • 1–4% mol in total monomer feed
    • Varies based on UV-cure system, desired cross-link density, and required chemical resistance

    Downstream process integration

    • Dosed during initial monomer blending for bulk/solution polymerization
    • Precipitated as a reactive diluent or coupling agent in photoinitiator master batches

    Final product types

    • UV-curable industrial coatings
    • Wear-resistant optical adhesives
    • Durable acrylate polymers for electronics assembly
    • Specialty packaging inks with enhanced barrier properties

    5. Fine Fragrance and Aroma Intermediate Manufacturing

    Our compound finds defined use in the aroma chemical industry as an intermediate for synthesizing specialty musks and high-stability fragrance raw materials. Its aromatic skeleton with a tert-butyl substituent imparts desired volatility modulation and persistent notes in end-user formulations. It is commonly integrated in Friedel-Crafts alkylation or selective hydrogenation reactions to achieve odor stability and regulatory acceptance for global markets.

    Industry compliance standards

    • IFRA Standards (International Fragrance Association)
    • ISO 9001:2015 for flavor and fragrance production
    • EU Regulation (EC) No 1223/2009 on cosmetic products
    • GHS/CLP for hazard communications

    Typical usage ratio

    • 2–7% w/w in intermediate aroma building blocks synthesis
    • Adjusted for fragrance strength, end-user regulatory limits, and application (fine fragrance, personal care)

    Downstream process integration

    • Fed in initial alkylation or condensation reactions to form macrocyclic or polycyclic musks
    • Followed by purification and blending in concentrated aroma bases

    Final product types

    • Musk ketone and Musk ambrette intermediates
    • Long-lasting fragrance compounds
    • Premium personal care scent bases
    • Industrial-grade aroma chemical mixtures
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    Certification & Compliance
    More Introduction

    Introducing 4-Tert-Butylbenzonitrile: A Reliable Building Block for Advanced Organic Synthesis

    The Direct Experience of Manufacturing 4-Tert-Butylbenzonitrile

    Every day in our reactors, the raw fragrance of toluene derivatives and the faint, sharp note typical of nitriles remind us that real chemistry often starts with simple, durable intermediates. Among the aromatic nitriles, 4-Tert-Butylbenzonitrile plays a consistent role in our product line. In our plant, we synthesize and refine this compound to strict, proven specifications, enabling researchers and production chemists to rely on predictable, batch-to-batch performance. Our team sees this material move from the distillation column into sealed drums and on to advanced laboratories. Years of working directly with this compound have taught us its potency, quirks, and where it best fits in the market.

    Understanding the Molecular Structure and Its Impact

    This compound, known for its high-purity crystalline form and modest volatility, carries the molecular formula C11H13N. With a tert-butyl group locked into the para position on the benzene ring and a nitrile group at the fourth carbon, the electron-donating tert-butyl ring distinctly shifts the reactivity profile. This subtle enhancement of electron density makes certain transformations easier, especially in catalytic functionalizations, compared to the relatively inert unsubstituted benzonitrile. It stands out by resisting overreaction in strong alkali or base conditions, a reliability factor that synthetic chemists appreciate during scale-up processes.

    Consistency from Batch to Batch

    In our facility, purity means using rigorous distillation and crystallization protocols, not just a line on a certificate. Each batch undergoes verification by GC and NMR. Any off-spec impurity above tens of parts per million triggers a rework—our process chemists do not compromise on these standards. Over time, by adjusting cooling rates and solvent ratios, we've reached a regularity and clarity in the appearance of our crystalline 4-Tert-Butylbenzonitrile that partners have come to expect. Unlike stock from secondary sources, which can carry colored impurities or residual solvents, our final product consistently runs nearly colorless to faintly off-white, with a melting point and spectral fingerprint aligned to published data. This reliability cuts down troubleshooting for customers and reduces waste in purification steps downstream.

    Applications Anchored in Firsthand Results

    Organic chemists use 4-Tert-Butylbenzonitrile as a scaffolding molecule in the preparation of specialty pharmaceuticals, agrochemicals, and new materials. It often serves as a safer, more manageable alternative to some more volatile or reactive aromatic nitriles. Our experience supplying kilo lots for pilot projects demonstrated its strong value in the Suzuki and Sonogashira coupling reactions, where the tert-butyl group shields the aromatic ring from undesired side-chain activation or polymerization. In lab notebooks and customer visits, we have seen teams select this intermediate for routes that call for a stable, yet easily modifiable, benzonitrile core.

    For example, in processes aimed at synthesizing benzylamine-based drug intermediates, researchers need a nitrile group that withstands hydrogenation without breaking down prematurely or introducing colored byproducts. 4-Tert-Butylbenzonitrile fulfills this need with minimal side reaction, based on feedback from scale-up chemists working directly with our material. Because stability in handling and robustness during process changes matter more as projects move from R&D to kilogram or ton scales, picking the right intermediate up front saves resources and energy.

    What Sets It Apart from Other Benzonitrile Derivatives

    Experience tells us that subtle differences in aromatic substituents can change downstream reaction profiles considerably. Compared with unsubstituted benzonitrile, the tert-butyl para group imparts greater lipophilicity and increases steric hindrance. This means it blocks certain nucleophilic attacks at the ring, which can result in less side-chain alkylation or unwanted ring opening under aggressive catalytic conditions. We have watched teams switch from methyl or isopropyl analogues to the tert-butyl group after confronting stability issues during high-temperature steps. Our process data show significantly fewer tars and byproducts, saving both time and solvent during purification.

    Unlike isomers with ortho- or meta- tert-butyl placement, the para variant gives a more consistent crystalline product and remains easier to isolate after reactions. Trying to purify ortho derivatives, we have seen loss of material and increased time due to increased solubility and stickiness, whereas the para compound crystallizes more sharply, reducing product losses and speeding up workflow for isolation.

    Against benzyl-substituted benzonitriles, the tert-butyl para version resists unwanted hydrogenolysis, standing up better to Pd/C or Raney nickel catalysis—a point that process chemists often mention when moving from bench to plant. The chemical profile here solves concrete problems that emerge only once reactors scale up and throughput matters to project deadlines.

    Navigating Synthesis Challenges and Best Practices

    Having turned out dozens of tons of 4-Tert-Butylbenzonitrile over the years, our technical teams have faced and overcome most challenges that can crop up when manufacturing this molecule. Nitration, reduction, and dehydration steps call for careful control of temperature and solvent polarity. During dehydration of the corresponding amide intermediate, too much moisture or incorrect reflux conditions can drag down yield and introduce sticky tars. We have adjusted our conditions to match reliable, cleaner conversion, as supported by clean HPLC profiles and reproducible product weights.

    End users often ask about the best way to handle this compound to protect long-term stability and avoid unexpected reactivity. Laboratory and storage experience shows that it remains stable at room temperature, away from strong acids or oxidizers. Our own warehouse records, covering regular shipments over multiple seasons, confirm a two-year storage interval without detectable decomposition or color change. This makes it preferable to some other aromatic nitriles that can develop off-odors or color within months—a detail that truly matters when keeping high-value intermediates on hand.

    Bringing Practical Value to Custom Syntheses

    Every contract or custom order we fill for this compound comes with input from experienced synthetic chemists who have run reactions not only at the milligram bench scale but across larger vessels. Knowing that slight tweaks to purity and moisture content can make or break a catalytic process, we spend time tuning our final product spec. Over the last few years, feedback from partners has shown greater success and less need for additional purification when starting with our 4-Tert-Butylbenzonitrile instead of commercial lots scraped together from undifferentiated bulk supply chains. The time saved goes straight to project timelines and cost management.

    For scale-up and pilot process teams, time really means money. If an intermediate shows unpredictable color, uneven particle size, or a drifting spectral profile, each batch can cost precious hours or even more in failed reactions. Our plant runs are designed to smooth these bumps—not because we promised it in a data sheet, but because keeping synthesis moving forward matters to us and our experienced counterparts in the field.

    Addressing Environmental and Regulatory Concerns

    The tiered pressure on the chemical industry to reduce waste and improve safety plays out directly in the manufacture and storage of aromatic nitriles. Working with downstream partners and internal audits, we updated our synthesizing and containment methods. For 4-Tert-Butylbenzonitrile, this meant reducing reliance on halogenated solvents, moving toward greener catalytic dehydration steps, and establishing full traceability from raw material entry to outgoing finished goods. These changes trace not only to regulatory compliance but also to first-hand reviews of waste disposal logs and audit feedback from larger clients.

    We maintain documentation and archiving of all testing—GC, NMR, HPLC—ensuring every shipment conforms to major chemical market standards. As REACH and global safety norms tighten, our attention to full hazard labeling and updated transportation protocols has made a measurable difference in the number of incidents reported at recipient labs. Every incident avoided means smoother research progress for our partners, and fosters long-term trust with regular customers.

    Adapting to New Synthetic Demands

    Organic chemistry does not stand still. Over years of supplying 4-Tert-Butylbenzonitrile, we have adjusted our process in response to new synthetic routes developed by our customers. Emerging photoredox and radical coupling methods have inspired requests for higher-purity and ultra-dry grades, and we have adapted internal controls to serve this trend. From pilot-scale to full industrial lots, we now manage tighter controls for metal residues and moisture content—because we have seen just how much these variables can affect catalyst performance and yield in cutting-edge transformations.

    During onsite troubleshooting or laboratory visits, it becomes clear that chemists require flexibility—sometimes a slightly larger particle size for improved filtration, sometimes a finer cut for quick dissolution in polar solvents. We changed our packaging and milling options to match these needs instead of pushing a one-size-fits-all product. Customers working in research, crop protection, or API development have benefitted from responsive adjustments, and we keep these lessons applied to the next run.

    Quality Backed by Day-to-Day Experience

    Labels and batch numbers reflect real work by our production staff, not just a spreadsheet entry. From unloading the starting isobutylene to sieving the final crystal crop, each step reflects the hard-earned lessons of what works best. In busy seasons, when multiple orders cross over, our scheduling allows time for both quality testing and small-batch refinement requested by regular buyers. We see, every year, that investing in stability, consistency, and clear communication with end users returns as loyalty, fewer complaints, and steady business growth.

    Future Directions and R&D Efforts

    The demand for increasingly sophisticated pharmaceuticals and specialty chemicals continues to nudge our process engineers to try novel approaches to the manufacture of intermediates such as 4-Tert-Butylbenzonitrile. As chemistries get more specific and downstream requirements more exacting, we focus on further tightening impurity profiles and reducing trace contaminants like palladium, nickel, or unreacted starting materials. Our R&D team, built from bench and plant chemists with hands-on years behind them, reviews each post-mortem on failed or problematic batches, folding improvements into each subsequent synthesis. We know from personal experience that small changes in process conditions can yield real advantages in overall throughput and environmental impact.

    We also keep abreast of regulatory changes, making sure that supporting documents and shipment packaging evolve ahead of enforced deadlines, not in their wake. Close collaboration with research partners ensures that future iterations of our product offerings keep up not just with market demands, but also technical possibilities uncovered in peer-reviewed studies and patent filings.

    Commitment Rooted in Practical Knowledge

    Serving as a primary manufacturer means seeing the full life cycle of a product such as 4-Tert-Butylbenzonitrile. It means hearing about both the successes and the snags from clients running new syntheses, sometimes working through the night to troubleshoot a reaction with real supply chain impact. Our vantage point makes clear that behind every successful compound stands a partnership between process know-how, practical feedback, and trust earned through repeated performance.

    Years of direct production, not handling paperwork at arm’s length or outsourcing the critical details, have given us confidence in both the material and our own methods. Every order gets reviewed by people with actual synthesis backgrounds, not just supply managers, and that connection to real chemistry continues to drive improvements on our floor and in our customer relationships. For those seeking a clear, reliable path through the maze of modern organic chemistry, our work with 4-Tert-Butylbenzonitrile remains a foundation for continued partnership, problem-solving, and progress.