In the world of specialty chemicals, some compounds demand a longer look, and 4-(2,2,2-Trifluoroacetyl)Benzonitrile falls squarely into that category. This solid white or off-white chemical shows up in labs and industrial settings as flakes, fine powder, or crystals, depending on how it’s prepped and packaged. The compound doesn’t carry the most memorable name, but people who work in organic synthesis or pharma research recognize it instantly thanks to its unique blend of a benzonitrile core and a trifluoroacetyl group attached at the para position. This marriage between benzonitrile and trifluoroacetyl opens up all sorts of pathways for building advanced molecules, especially in fields where strong electron-withdrawing effects and halogen presence play a big part in reactivity.
The molecular formula of 4-(2,2,2-Trifluoroacetyl)Benzonitrile is C9H4F3NO, and the compound carries a molar mass of about 199.13 g/mol. Smiles code reads as FC(F)(F)C(=O)C1=CC=C(C#N)C=C1, connecting a benzene ring adorned with a nitrile and a trifluoroacetyl at opposite ends. This symmetry makes for reliable crystalline packing. Materials like this often move internationally, and its HS Code, depending on classification, usually sits under aromatic nitriles or related organofluorine products—most often in the 2926.90.9890 bracket. Knowing HS codes keeps customs work smooth, especially when regulations around hazardous goods come into play.
Looking at this molecule in the lab, you’ll notice it resists moisture and air pretty well, since the trifluoro group shoves electron density away and keeps the compound relatively stable. It doesn’t melt at room temperature, as the solid form holds up to moderate warming, only softening as it approaches its melting range of around 80-84°C. Density clocks in near 1.38 g/cm³ in solid state, so it feels heavier than it looks. Solubility leans low in water, picking up in polar organic solvents like acetonitrile, DMF, and DMSO; this is true for a lot of fluorinated organics. In air, it doesn’t give off much of a smell, making it a quiet addition rather than an overpowering presence. Crystal and powder forms offer flexibility for different synthetic setups, letting chemists shake up reaction routes or purification methods. Properties like that line up for someone either scaling up from a bench-top route or just mixing up a few grams for an R&D batch.
While this compound doesn’t react explosively on its own, respect for safety rules comes front and center. Nitrile-containing chemicals can irritate skin, eyes, and lungs, especially if they vaporize under strong heating. The trifluoro group makes this material less likely to break down quickly, but accidental spills or splashes in solution form will bite just like any other medium-strength organic acid derivative. Gloves, goggles, and serious ventilation aren’t optional—those lessons stick with anyone who’s ever handled fluorinated aromatics. As for storage, cool and dry conditions prevent clumping or decomposition, particularly important if you buy in bulk or deal with sensitive partners along the supply chain.
This compound doesn’t just sit on a shelf. Chemists use it as a stepping stone to build much larger or more complicated frameworks. The combination of the trifluoroacetyl group and nitrile directs reactions—offering strong activation for further electrophilic substitutions, or acting as a leaving group in tailored cross-coupling setups. You’ll find it in pharmaceutical intermediates where metabolic stability matters, and it occasionally shows up in materials research when engineers need that rare mix of rigidity, fluorine content, and functional versatility. Raw materials for production stem from Pareto-improved routes, usually starting with para-cyanobenzene and 2,2,2-trifluoroacetic anhydride or acid chloride, bolstering yields and minimizing waste (since fluorinated reagents don’t come cheap and usually call for careful capture and recycling).
Some chemicals have well-earned, dangerous reputations, but 4-(2,2,2-Trifluoroacetyl)Benzonitrile lands between “handle with care” and “strictly regulated.” It won’t combust like ethers or spill toxic vapors like some low-weight amines, though the trifluoroacetyl and nitrile pieces contribute chronic health concerns if you breathe or swallow enough. The real hazards relate to improper disposal and accidental mixing with reducing agents; unwanted byproducts can escape into the atmosphere or show up downstream in waste water. As a solid, it sweeps or vacuums up without much drama, as long as you avoid raising dust clouds. Once dissolved, especially in polar solvents, it blends and spreads with ease, so containment and labeling take on outsized importance. Environmental rules in most jurisdictions demand proper tracking and neutralization before shipment or landfill, keeping liabilities low and regulatory headaches to a minimum.
No one enjoys surprise exposures or unexpected bills from chemical waste. Factories and labs moving this compound would do well to invest in clear labeling, regularly train staff, and keep close tabs on inventory, especially if resins or custom pharmaceutical work brings in kilograms or liters at a time. High-quality ventilation, safe collection drums for waste, and written protocols pay off over the long run. Individuals carrying the load on R&D or analytical work benefit from pre-packed, standardized quantities—the sort that arrives in sturdy containers, well-sealed bags, or break-resistant flasks. Feedback from the field says that partnerships with trusted suppliers, plus secondary sourcing where needed, keeps the headaches down. Those who take regulations seriously and communicate well upstream and downstream never get caught out by shifting rules or new best practices. Tools like barcoding, digital tracking, and on-site neutralization equipment—all make life easier, especially with a compound that straddles specialty and scale-up markets.
