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4-(2,2,2-Trifluoroacetyl)Benzonitrile: A Comprehensive Commentary

Historical Development

People didn’t always pay much attention to compounds like 4-(2,2,2-Trifluoroacetyl)Benzonitrile. Organic chemists started leaning into trifluoromethyl chemistry in the 1960s, chasing new pharmacophores and boosting molecular stability for industrial chemicals. The arrival of advanced fluorination methods in the 1970s made unique structures accessible—including this benzonitrile derivative. It moved into research labs as more began testing aromatic ketones for reactivity and performance, with academic papers mapping out its potential in pharmaceuticals and specialty materials. Over decades, interest kept climbing as new synthetic needs cropped up and better analytical resources rolled onto the scene. No headline moments and no Nobel prizes, but 4-(2,2,2-Trifluoroacetyl)Benzonitrile quietly established itself as a well-known scaffold for synthetic exploration and molecular design.

Product Overview

Nobody lives next to a factory churning out 4-(2,2,2-Trifluoroacetyl)Benzonitrile in bulk. Chemists use it as an intermediate, tweaking properties of final products instead of spotlighting it by itself. With its rigid aromatic ring, strong trifluoroacetyl group, and nitrile handle, researchers hunt for new links in drug design, liquid crystals, agrochemical prototypes, and advanced polymers. Companies package it to meet the needs of R&D teams: glass bottles, sturdy seals, detailed certificates of analysis, and reference spectra all included. Purity standards are strict since nobody wants side reactions in multifunctional group chemistry—each gradation above 98% purity gets a nod from careful chemists trying to avoid project derailing contaminants.

Physical & Chemical Properties

This solid could be mistaken for a lot of organics at room temperature, but a closer look reveals more. Boiling point hovers near 108–110°C under reduced pressure. Looking for a pale yellow powder or crystalline solid with a faint, sharp odor. The trifluoroacetyl group lends real muscle, bumping up electron-withdrawing strength and making the molecule a go-to in selective transformations. The entire structure resists moisture and standard hydrolysis, so you won’t see rapid breakdown with air or trace water. Solubility favors organic solvents like dichloromethane or acetonitrile, steering clear of straightforward aqueous chemistry. Flash point keeps it out of the range of common flammables, but caution still runs every process involving open heat or strong bases.

Technical Specifications & Labeling

Manufacturers don’t leave users guessing. Product grades list purity—usually above 98%—with batch numbers, spectroscopic fingerprints, and recommended storage conditions. Containers wear hazard codes, pictograms, and clear dates of manufacture. Safety data comes with every shipment, including handling suggestions and first-aid information. Always labeled with both CAS registry number (345-83-5) and alternate registry codes for traceability. For compliance, labeling practices must align with both EU CLP and OSHA standards; anyone handling the material gets a clear signal that this isn’t sugar or cornstarch, but something to be respected on a workbench.

Preparation Method

The classic route uses Friedel–Crafts acylation on a cyanobenzene backbone, employing trifluoroacetic anhydride with AlCl3 or another strong Lewis acid. This method delivers a clean electrophilic addition at the para position, stopping short of overreaction thanks to the moderating influence of the nitrile group. Washing and crystallization steps weed out byproducts and give that high-purity finish chemists rely on. Some routes swap out anhydrides for trifluoroacetyl chloride, changing order of operations but not the central chemistry. Each tweak in preparation must balance yield, scalability, and downstream safety—never a set-and-forget recipe in a tightly regulated lab.

Chemical Reactions & Modifications

The power of 4-(2,2,2-Trifluoroacetyl)Benzonitrile comes alive in transformations. Its aryl nitrile can convert to amides, acids, and even anilines if the right reagents appear. Trifluoroacetyl’s electron-withdrawing nature makes substitutions on the ring more selective, helping chemists build in functional diversity without sacrificing stability. Nucleophilic attacks on the nitrile open the door to tailored heterocycles and peptidomimetics. Fluorinated groups stay put through many conditions, allowing researchers to build up complex targets step by step. Modifications using reducing agents or base-catalyzed hydrolysis bring out further synthetic potential; the molecular backbone stands up to fairly aggressive treatments without falling apart.

Synonyms & Product Names

Sometimes the name trips people up. Across catalogs, you might find listings like “4-Trifluoroacetylbenzonitrile,” “p-(2,2,2-Trifluoroacetyl)benzonitrile,” and simply “TFABN.” Researchers chasing the compound in digital libraries often need to try several variants—trifluoroacetylbenzonitrile and 4-cyano-benzoyl-trifluoromethane being common alternatives. Knowledge of these aliases is a lifesaver, especially during literature reviews or ordering from international suppliers. Slight variants abound, but the chemical structure remains the core reference standard by which both suppliers and scientific teams communicate.

Safety & Operational Standards

Handling any trifluoroacetyl compound brings risk, and 4-(2,2,2-Trifluoroacetyl)Benzonitrile proves no exception. Protective clothing, gloves, and goggles are the baseline—not optional. Vapors call for effective fume hoods, especially during scale-up or purification runs. Inhalation or skin contact triggers rapid response protocols. Bleach, acids, and bases are kept at bay, preventing runaway exothermic reactions or gas evolution. Disposal means neutralization: trained chemical waste teams see the process through, keeping regulatory agencies satisfied and lab teams safe. Clear standard operating procedures hang on every lab wall, and new researchers get safety briefings before touching the material.

Application Area

Rather than a finished good, 4-(2,2,2-Trifluoroacetyl)Benzonitrile serves as a vital building block. Medicinal chemists stack it up as they search for new anti-inflammatory and anticancer drug candidates. Its robust structure and specialized electronic properties attract polymer engineers chasing durable, high-performance plastics, especially for electronics where heat and chemical resistance matter. Agrochemical researchers appreciate its versatility in tailoring pesticide backbones for increased environmental stability. Liquid crystal designers use it for boosting properties in advanced display technologies. Even the fragrance industry takes note, exploring fluorinated aromatics for unique scent profiles. The applications list grows as each team discovers new value in the trifluoroacetyl and nitrile pairing.

Research & Development

Emerging research uncovers more about the trifluoromethyl group’s influence on biological and physical behavior. Teams experiment with blending this benzonitrile into new frameworks, mapping structure-activity relationships and hunting for bioavailability improvements in medicinal chemistry. Novel catalysts bring increased site-specificity to transformations. Polymer synthesis circles back to this scaffold for materials with robust barrier functions or intriguing optoelectronic responses. Computational chemists run simulations to predict new derivatives, refining lab direction and reducing wasted resources. Incentives run high since fluorinated intermediates shape the future of pharmaceutical scale-up and specialty manufacturing.

Toxicity Research

Few risks exist for those following standard operational protocols, but studies highlight concerns. The trifluoroacetyl group’s stability suggests limited metabolic breakdown in organisms, which can lead to persistence in tissues. Inhalation and oral ingestion pose mild to moderate risks depending on dose and duration, with experiments on cell lines and small vertebrates outlining possible cytotoxic effects. Researchers monitor routes of exposure and scrutinize metabolism, while regulators demand regular reporting on environmental impact and workplace safety. The trend shifts toward comprehensive toxicity profiling, linking bench work to broader health and ecological consequences.

Future Prospects

Advances in precision fluorination will likely boost the appeal of compounds like 4-(2,2,2-Trifluoroacetyl)Benzonitrile. Synthetic chemists see room for optimizing both cost and scalability, potentially unlocking new commercial opportunities outside custom synthesis labs. Increased regulatory oversight steers R&D to greener approaches, favoring less hazardous reagents, step-saving routes, and recyclable solvents. The compound’s dual role in robust materials and smart pharmaceuticals keeps it relevant as both fields shift toward next-generation technologies. Cross-border collaboration between academic teams, industry, and policy makers could reshape supply chains and usage norms as applications multiply and industry needs sharpen. Continuing investment in toxicity testing and greener synthesis will shape both its future utility and how researchers rely on it in projects yet to come.



What is the chemical formula and molecular weight of 4-(2,2,2-Trifluoroacetyl)Benzonitrile?

Looking Into the Formula and Molecular Weight

4-(2,2,2-Trifluoroacetyl)benzonitrile draws attention not because its name rolls off the tongue, but because small molecular tweaks like swapping out hydrogen for fluorine can transform how a chemical behaves. The formula for this compound is C9H4F3NO. Each little symbol in this formula means something: nine carbon atoms lay out the skeleton, while four hydrogens fill in the gaps, and three tightly bound fluorines cluster on one end. A nitrile group and an oxygen finish things off. The molecular weight: 199.13 g/mol.

Why Care About These Numbers?

Numbers tell stories—if you ever needed to run a reaction or confirm a compound from scratch, you’d reach for this formula and weight like lifelines. In my own lab experience, missing a detail like the right molecular weight can slow down days of work. MS readings come back fuzzy, NMR peaks don’t add up, and before you know it, your supervisor is asking if you even made the right product.

Chemists don’t just memorize formulas for the fun of it. Let’s say you want to purify this compound or check that you’ve got the right crystals from a reaction. Knowing that it should tip the scale at 199.13 g/mol keeps you honest, whether you’re pipetting solvents or zeroing a balance. Miss by a few grams, and you might have a leftover reactant or a sneaky by-product. Using molecular weight means tracking purity, precision, and progress.

Impact of Fluorine and the Nitrile Group

Fluorine atoms aren’t there just to sound fancy. They shake up a molecule—boosting stability, changing electronegativity, even making some drugs more potent. Teflon and Prozac would be nothing without clever fluorination. Slapping a trifluoroacetyl group onto benzonitrile brings resistance to breakdown, and tosses in unique reactivity. If your work touches pharmaceuticals or new materials, these trifluoromethyl groups make all the difference.

The nitrile part plays its own role. Nitriles are sharp-edged in organic chemistry—they pop up in dyes, pesticides, and treatments for dangerous seizures. They help hook molecules together in ways that other groups just can’t manage. 4-(2,2,2-Trifluoroacetyl)benzonitrile, with both trifluoroacetyl and nitrile groups, can act as a halfway point for building new things, whether a manufacturer is tracking down an agrochemical or designing another carbon-carbon bond in a pharmaceutical compound.

Challenges and What Works

Working with compounds like this, the risk of exposure to strong fluorinated chemicals and nitriles isn’t just theoretical. I remember the stench of certain nitriles in a badly ventilated basement lab—burning plastic, sharp as vinegar, sticking to your gloves. It takes proper HPLC and GC/MS tools and, above all, solid protocols for handling waste and spills.

One solution: push for better training with fluorinated chemicals and spend less time with open containers. Closed reaction setups, proper fume hoods, and respect for PPE go furthest. Another real fix everyone loves: digital record-keeping. Confirm that the formula matches both on paper and in your vials, so molecular weight becomes more than trivia—it means safety, reproducibility, and a smoother time at the bench.

What are the common applications or uses of 4-(2,2,2-Trifluoroacetyl)Benzonitrile?

Chemistry At Work

Take a look at most chemical innovation, and you’ll find building blocks with names straight from a spelling bee nightmare. 4-(2,2,2-Trifluoroacetyl)Benzonitrile might seem like a mouthful, yet it’s finding its way into labs and manufacturing plants for reasons that don't need a lab coat to understand. For anyone who’s tinkered with organic chemistry or followed pharmaceutical development, these are tools, not monsters.

What’s It Actually Used For?

In my own work with synthetic chemistry, few things have popped up as much in research circles as fluoro-organic building blocks. 4-(2,2,2-Trifluoroacetyl)Benzonitrile plays a key role for chemists trying to add stability and new properties to molecules. Its trifluoromethyl group pulls electrons the way a strong wind pulls at a kite, so it helps researchers steer reactions into new territory, pushing biology and materials science forward.

I’ve watched colleagues turn to this compound most often in pharmaceutical design. Drug makers are always chasing molecules that last longer in the body or resist breakdown, and the trifluoromethyl group excels at this. Chemists stitch it into new drug candidates, aiming for stronger medicines and fewer side effects. Pfizer, Roche, and other industry giants have put money into this avenue, and every time a new headache pill lasts a bit longer or a cancer therapy gets more selective, chances are good some cousin of this compound lent a hand.

Beyond Pills: Materials and Crop Science

People outside pharma use this chemical too. Electronics companies turn to trifluoromethyl compounds when they want heat-resistance or electric insulation in polymers and coatings. If you’ve held a smartphone and wondered how the microchips stay safe through hours of use, consider the barriers and layers built from this corner of chemistry.

Agricultural chemists also dip into this toolbox. Better crop protection means finding molecules that resist the sun and rain. Fluorinated compounds like this one anchor promising candidates for herbicides and insecticides. I’ve seen research groups in Brazil and India test sprays with stable, fluorinated cores, watching the plant protection last longer without running off in the first storm.

Room for Improvement

Using these compounds brings headaches, too. Fluorine doesn’t just make molecules strong, it makes them stubborn. My own tough cleanup days after lab sessions reminded me that waste products with fluorine don’t break down in landfills or water systems. Environmentalists and regulators, especially in Europe, have flagged this as a real problem. I’ve heard peers in green chemistry push for better methods to recycle or safely destroy these molecules after use. Switching to less persistent alternatives, developing new catalysts that break up fluorinated waste, and improving containment in production plants are ongoing projects in the community.

A Chemical With Plenty of Impact

Few outside the lab will ever see a vial of 4-(2,2,2-Trifluoroacetyl)Benzonitrile, but its influence keeps growing—from how crops grow to how medicines work and how devices function. It’s easy to overlook these molecules, but in my experience, scientific progress moves fastest when we face trade-offs head-on and push for new solutions wherever we lean on chemistry that just won’t quit.

How should 4-(2,2,2-Trifluoroacetyl)Benzonitrile be stored?

Understanding the Chemical’s Nature

I’ve always believed that chemistry rewards careful attention, especially with less familiar compounds like 4-(2,2,2-Trifluoroacetyl)benzonitrile. Anyone working around it might notice the name and immediately imagine a lab lined with beakers and strict rules. They wouldn’t be far off. There’s a reason folks in research settings won’t just leave this stuff on any shelf. The molecule mixes a trifluoroacetyl group and a benzonitrile ring, so its stability can get shaky if treated lightly. Any solvent or reactant built from fluorine tends to have its quirks, most of them owing to fluorine’s fierce pull on electrons. The result? You’re holding something fairly unyielding, but you shouldn’t mistake it for totally safe. Volatility and reactivity still loom large in the background.

Lessons from the Stockroom

Many chemists develop an instinct for storage just from sharing lab benches with those who cut corners. I once watched a batch of moisture-sensitive crystals turn to mush after someone left the lid off a desiccator. 4-(2,2,2-Trifluoroacetyl)benzonitrile behaves in comparable ways, especially when it faces moisture, bright light, or swings in temperature. It may not burst into flames or fizz on sight, but degrade it a bit and slow changes begin to break its structure down, interfering with any experiment that follows.

For this reason, smart storage habits matter. I always reach for tightly sealed glass containers, skipping anything with a questionable closure. I’ve seen plastic leach or warp, so glass works best. The desiccator isn’t just for show—removing water vapor makes sure the compound keeps its punch and doesn’t clump. Direct light sometimes catalyzes slow breakdowns in aromatic nitriles; shielding it in an amber or opaque container keeps things stable. It makes little sense to show off your latest purchase in clear jars under harsh fluorescent lights. Keep it tucked away in a closed cabinet where heat and light have a harder time finding it.

Environmental Hazards and Safety Shortcuts

Labs stick MSDS posters on doors for a reason. Anyone who ignores them risks health and budget—chemical waste is expensive and so are ruined experiments. Getting 4-(2,2,2-Trifluoroacetyl)benzonitrile on your skin can cause irritation, and any accident involving the eyes or mouth leads straight to the safety shower and medics. I never carry a bottle without donning gloves and goggles, and I keep spill clean-up kits nearby. A fume hood takes away any lingering vapors, which seem mild at first but can build up to irritating levels. All these steps keep accidents out of the news and off the admin’s desk.

In my experience, those who skip the basics usually pay in wasted materials. Besides safety, cost becomes a motivator. Reordering this compound isn’t cheap, especially for research groups running on tight grants. Following proper protocols keeps inventory intact, labs safer, and accountants happier.

Better Protocols and Organizational Habits

Labeling makes the difference between a productive lab and a confused scramble every Monday morning. Faded tape or half-hearted handwriting won’t cut it here. Bold dates, clear hazard icons, and expiration notes make it easy for everyone to recognize what’s inside each bottle. Chemists with a habit of double-checking logs catch mistakes before they eat into project timelines. Storing chemicals alphabetically may sound old-fashioned, but it saves time—and stress—when things get busy.

Making Good Habits Standard Practice

Experience in chemistry boils down to the routines you don’t skip. Good storage for 4-(2,2,2-Trifluoroacetyl)benzonitrile pays off every single time. Those small steps—choosing the right glass, cool dry shelving, keeping records—give labs a sense of order that’s hard to beat. For anyone thinking about cutting a corner or two, just remember: the science goes smoother when your materials don’t degrade faster than the work itself.

What is the purity and appearance of 4-(2,2,2-Trifluoroacetyl)Benzonitrile?

Real-World Chemistry: What You See and What You Get

Chemicals like 4-(2,2,2-Trifluoroacetyl)Benzonitrile rarely turn heads outside a lab. Yet for the working chemist, purity and appearance are everything. This isn’t about shiny marketing or some textbook ideal. It’s about the kind of results you get at the bench, how sure you can be about what’s in your flask, and honestly, whether the time and money you pour into a project actually pay off. Nothing can kill a project’s momentum faster than an unexpected impurity or a suspicious color.

Purity: No Room for Compromise

Getting high purity isn’t just a badge of honor. In organic synthesis or pharma research, it matters because one stray contaminant changes everything — melting points shift, NMR spectra turn into a headache, and synthesis steps start failing for no apparent reason. Typical lab-grade 4-(2,2,2-Trifluoroacetyl)Benzonitrile clocks in at 97% purity or better. Better sources push that above 99%. Every decimal point saves time and prevents wild goose chases down the line.

People sometimes trust the label or supplier too much. Scrutiny always pays off. I’ve seen coworkers get burned by supposedly high-grade starting material that had just enough junk hiding in it to make their downstream reactions unreliable. For a compound with both electron-withdrawing nitrile and fluoroacetyl groups, even trace amounts of water or solvent residues can derail planned syntheses or analytic measurements.

Appearance: More Than a Visual Check

4-(2,2,2-Trifluoroacetyl)Benzonitrile, in its purest form, ranges from an off-white to pale beige solid, sometimes forming fine crystalline powders. If it looks yellowish, taupe, or oily, alarm bells usually go off. Those color changes flag breakdown products or leftover process chemicals. Distinct aromas can offer more clues: a sharp smell often hints at trifluorinated organics, but a strong stench reveals contamination or incomplete reaction work-up.

Where I’ve worked, small changes in appearance have sometimes warned us about big problems. Once we ordered a batch outright brown. Our project manager hesitated for days, and sure enough, the impurity profile in LC-MS was a mess. Those visual clues aren’t old-school superstition — trust me, they save effort and budget.

Why Quality Checks Make All the Difference

Checking TLC spots, running a simple NMR, or just melting a small sample are habits worth building. Quick checks can sort usable material from a future headache. Many labs have adopted a “trust but verify” approach. It’s become normal to keep an eye out for surprises before committing reagents to lengthy synthesis steps.

Mistakes in starting material purity or problems with unexpected byproducts have sunk plenty of research budgets before. I recall a small-team project forced back to square one because an off-white appearance hid thermal degradation after summer shipment. That’s the reality of working with specialty chemicals.

Solutions: Smarter Sourcing and Simple Safeguards

People ask for solutions, but most are pretty straightforward. Source from reputable suppliers, insist on batch-specific CoA’s, and run spot checks yourself. Keep samples protected from moisture, light, and temperature swings that break them down. Establish a habit of checking color, texture, and smell. That habit, backed by quick data, lets you catch issues before they snowball. No fancy software needed — just good habits, open eyes, and steady nerves. That’s what solid lab work looks like.

Are there any specific safety or handling precautions for 4-(2,2,2-Trifluoroacetyl)Benzonitrile?

Why Safety Matters in the Lab

Anyone who has worked in a lab knows that some chemicals command respect. Just seeing a name like 4-(2,2,2-Trifluoroacetyl)Benzonitrile on a bottle perks up your attention. This compound carries both a trifluoroacetyl group and a benzonitrile core, each bringing its own quirks to the table. Safety isn't just paperwork or routine—one mistake, and the experience turns unforgettable for all the wrong reasons.

Direct Risks and Exposure

Let’s get real about the dangers. Organic nitriles, in my experience, often pack a punch in terms of toxicity. Add on that trifluoroacetyl twist, and you get a substance that can easily irritate skin, eyes, and lungs. I’ve seen red, itchy hands after accidental spills—and it’s not worth finding out the hard way what prolonged or repeated exposure does. Short-term symptoms may include headaches, nausea, or dizziness if inhaled, while a splash in the eye brings burning and potential sight damage.

Unlike salts or some inorganic powders, these organics love to go airborne. Even if you can’t see it, particles or vapors can sneak in through the airspace between your goggles and your face. That’s not theoretical. Years ago, I watched a seasoned chemist turn pale and shaky just from working with a similar compound outside a hood.

Proven Practices for Protection

Gear makes a difference, but only if used religiously. Gloves aren’t an accessory; nitrile gloves work as your first line, but double-gloving has saved my skin from unexpected splashes more than once. Regular lab coats, high-quality goggles, and even face shields come in handy if handling more than a gram at a time. Hood work isn’t just a box to tick—moving any quantity without one means gambling with your lungs and skin.

Spills don’t wait for you to prepare. Keeping absorbent pads and neutralizers nearby is a lesson learned after watching someone scramble when a bottle toppled. Fast response stops contamination from spreading to shoes, sleeves, and benchtops. Regular safety training makes a decisive difference; those with hands-on practice react, while those with only manuals freeze up.

Storage and Waste: Out of Sight, Not Out of Mind

Over the years I’ve noticed a bad habit: out of sight, out of mind. Stashing chemicals away haphazardly always backfires. This compound fares best in a cool, dry cabinet behind a locked door—and not stuffed next to strong acids or bases. Keep bottles clearly labeled and uncluttered. Poor labeling leads to confusion, especially when strained eyes have to decipher faded handwriting during a late-night experiment.

Disposing of waste sits at the intersection of personal and environmental responsibility. Pouring leftovers down the drain falls under reckless behavior. Use clearly marked waste containers dedicated to fluorinated organics. I’ve never forgotten the smell the day someone tried to shortcut disposal—one fume hood and a half-day of cleanup later, nobody argued the point again.

Seeking Solutions: Better Habits, Safer Outcomes

Chemistry relies not on daring, but discipline. As peers and mentors, we must enforce a culture of speaking up if someone skips safety, no matter the rush. If supply budgets allow, invest in spill kits and eye-wash stations that are actually functional, not just decorative. Share stories about close calls—personal ones stick better than rules on a poster. Smart, respectful handling of 4-(2,2,2-Trifluoroacetyl)Benzonitrile and similar reagents makes experiments possible without regretful aftershocks.

4-(2,2,2-Trifluoroacetyl)Benzonitrile
4-(2,2,2-Trifluoroacetyl)Benzonitrile
4-(2,2,2-Trifluoroacetyl)Benzonitrile