1-Bromo-4-Tert-Butylbenzene: Material and Application Insights

What is 1-Bromo-4-Tert-Butylbenzene?

1-Bromo-4-tert-butylbenzene falls into the group of aromatic compounds, showing up as a distinctive molecule where a bromine atom and a tert-butyl group attach to a benzene ring. The CAS number, often used for quick identification across the chemical trade, is 4986-54-5. In labs and manufacturing plants, workers see it as either a colorless or light-yellow solid or crystalline flakes. The structure gives it more than just a name; it points researchers toward both basic science and real-world uses, especially as a building block for more complicated molecules in the pharmaceutical, agrochemical, or polymer industries.

Chemical Structure and Formula

Breaking down the molecular make-up, the compound holds the formula C10H13Br. At the center, a benzene ring balances the electron cloud while the bulky tert-butyl group and bromine rest at opposite ends of the ring, creating a sort of chemical seesaw. That tert-butyl group adds a nonpolar punch while bromine tugs with its halogen weight. The formula hints at reactivity: bromine stands ready for substitution, while the tert-butyl group shows off massive electron-donating effects. This balance forms the backbone for further reactions, as chemists grab this structure for cross-couplings or aromatic substitutions in custom syntheses.

Physical and Chemical Properties

1-Bromo-4-tert-butylbenzene comes as a solid in ordinary room settings, but warming it a bit can turn it into a clear liquid. Some people describe its appearance as pale or off-white flakes, sometimes as powder or crystalline pearls, depending on purity and how it was crystallized. The compound’s purity affects its handling, especially in scaled industrial settings. Density hovers around 1.19 g/cm³, which means it sinks in water. It doesn’t dissolve much in water anyway, but organic solvents like dichloromethane, toluene, or ether love grabbing hold of these molecules, making them easy to mix in classic organic synthesis.

Melting point lands near 50–53°C, and you can push it into liquid territory above this temperature. Boiling point ranges around 240°C, showing good thermal stability for routine lab work. Its molecular mass, sitting at 213.12 g/mol, makes it easy to weigh out or measure for reactions.

HS Code and Regulatory Profile

Customs and shipping lanes identify 1-Bromo-4-tert-butylbenzene with the HS Code 2903699090. This category covers halogenated aromatic hydrocarbons, so import and export rules can shift depending on the country. Regulations often look for safe transit and packaging, given the halogen content and possible health risks.

Raw Material Role and Everyday Use

Industry relies on this compound as a starting material. Synthetic chemists use its reactivity to build out bigger, more valuable molecules: think cross-coupling reactions for new drugs or agrochemicals, or as a precursor to specialty polymers. The tert-butyl and bromine together make it a versatile intermediate, something I’ve seen in both research and manufacturing contexts. In research, its unique substitution pattern lets scientists test theories about how bulky groups affect ring reactions. In process chemistry, people dose it by the liter or kilogram, then watch it flow through multi-ton reactors.

Safety, Hazards, and Handling

1-Bromo-4-tert-butylbenzene demands respect in the lab. Although it doesn’t rank among the most dangerous chemicals, the bromine pulls in a level of toxicity that means gloves, goggles, and ventilation are a must. Long-term skin contact or breathing in dust isn’t healthy; standard GHS labeling classifies it as potentially harmful, which lines up with my own experience on production floors. Heat it up too much, and fumes can irritate the eyes and lungs. Environmental experts flag halogenated compounds like this one as problematic for aquatic life, so local guidelines often set strict limits for disposal.

Specifications and Material Forms

Suppliers ship it out in several forms, ranging from courser flakes to finer powders, and sometimes as larger crystals or solid pearls, sealed in glass or sturdy plastic containers. Labs and industry users will spec out purity (usually above 98%) and may ask for analytical tests like GC or NMR to confirm quality. Material safety data sits front and center in shipping manifests. Sometimes, users look for solutions in organic solvents—toluene is a common pick—ready for direct injection in larger manufacturing runs. Volumes range from 100-gram lab vials up to 200-liter drums, based on customer need.

Potential Solutions to Risk and Sustainability Issues

Chemists keep looking for ways to reduce hazards linked with brominated raw materials. One promising route involves tightening air controls to trap emissions during transfer. Improved glove and coverall standards limit direct exposure. Waste streams get treated through incineration under strict temperature controls, which break down the molecule to safer end-products. Researchers continue to look for greener alternatives, whether that means less-toxic halogens or different ring substituents that bring similar performance. Companies making these compounds also shift towards circular economy strategies, recycling solvents, and cutting waste at the source.

Why Accurate Description Matters

Accurate details on 1-Bromo-4-tert-butylbenzene can make or break a project. Mistaking density, purity, or hazard class leads to batch failures, unnecessary safety incidents, and supply chain holdups. In my own work, clear specs and regulatory codes unlock smooth customs processing or emergency response. Real-world teams lean on these facts to keep work running safely and smoothly. Exact data matters from bench to plant, shaping tomorrow’s pharmaceuticals and polymers—and protecting workers and the environment all the way.