1-Bromo-3,5-difluoro-4-(trifluoromethoxy)benzene: Material Insight, Structure, Properties, Safety, and Raw Material Relevance

What is 1-Bromo-3,5-difluoro-4-(trifluoromethoxy)benzene?

1-Bromo-3,5-difluoro-4-(trifluoromethoxy)benzene stands out in the world of specialty chemicals. This compound draws attention because of its robust aromatic core, modified with highly electronegative elements. The molecular formula, C7H2BrF5O, tells you right away that heavy fluorination plays a key role in its makeup. The trifluoromethoxy group attached to the benzene ring boosts both its physico-chemical stability and its potential as a raw material for further synthesis. Chemical researchers and manufacturing chemists often look to compounds like this for advanced material design, especially where high thermal and chemical resistance are necessary.

Physical and Chemical Properties

1-Bromo-3,5-difluoro-4-(trifluoromethoxy)benzene typically appears as a solid, though its form may range from flakes to fine powder, reflecting small variations in production process and storage. The density usually falls around 1.8 g/cm³, making it noticeably heavier than bulk organic solvents but far lighter than metals. Chemists often encounter this material as colorless to off-white, with a crystalline sheen that signals a high purity. Its melting point hovers near 40–46°C, and it can liquify under mild heating, which allows for safer handling and accurate metering in solution-phase chemistry. This compound dissolves moderately well in common organic solvents, such as ether, dichloromethane, or acetonitrile, but resists water, oil, and strongly basic or acidic conditions. The presence of two fluorine atoms and the large trifluoromethoxy group brings high volatility and precise electronic effects—those features matter enormously in fine-tuning product reactivity during chemical manufacturing.

Molecular Structure and Specifications

A closer look at the molecule shows a benzene ring substituted with bromine at the 1-position, fluorine atoms at the 3 and 5 positions, and a trifluoromethoxy group sticking off the 4 position. Each of these elements shifts the material’s reactivity. Strong electron-withdrawing fluorine and trifluoromethoxy substituents make electrophilic aromatic substitution less favorable, but open doors for cross-coupling reactions, such as Suzuki, Heck, or Sonogashira couplings. The presence of bromine makes it a useful building block as it can be swapped via palladium-catalyzed reactions to add larger, more complex groups—useful when designing pharmaceuticals or advanced polymers.

HS Code and Regulatory Aspects

For global movement and customs documentation, 1-Bromo-3,5-difluoro-4-(trifluoromethoxy)benzene falls under the Harmonized System (HS) code 2903.99, which is meant for halogenated derivatives of hydrocarbons. Companies moving this material cross-border keep a close eye on the specific digits and local regulatory guidance, since agency classification may affect taxes, safety filings, and shipment delays. Proper labelling and documentation ensure that safety and compliance remain front and center.

Physical Appearance and Packaging Forms

This chemical rarely comes as a bulk liquid; most suppliers distribute it as solid flakes, crystalline chunks, or finely milled powders. Material in pearlized form stays less common, but custom packing can cater to industry preferences. In the lab, it arrives sealed in glass bottles or thick PE drums, since the material requires dry, cool, and inert storage. Any exposure to moisture or light speeds up degradation, reducing yield in later reactions. Bulk handlers and laboratory managers both want to avoid unnecessary waste or contamination.

Applications and Safety

1-Bromo-3,5-difluoro-4-(trifluoromethoxy)benzene winds up as a raw material in pharmaceuticals, liquid crystals, and specialty polymers. Its unique substitution pattern supports the demand for molecules with high-performance thermal and metabolic stability, and robust electron-withdrawing ability. Chemical makers routinely count on its predictable halogen reactivity for stepwise assembly. Still, safety officers flag this substance for its harmful potential. Inhaling its dust or vapor can irritate the respiratory tract, and prolonged skin contact may trigger dermatitis. Toxicological profiles tie halogenated aromatics to environmental persistence or accumulated toxicity in animals. You have to see safety data sheets before handling, and researchers always use gloves, chemical goggles, and proper ventilation. Waste from processes involving this compound cannot go down ordinary drains: it needs controlled disposal through regulated hazardous waste streams, keeping in line with both workplace safety and local laws.

Property Tables and Technical Values

A technical data table for this compound reads out as: Density: about 1.8 g/cm³; Melting point: 40–46°C; Boiling point: usually reported above 200°C at atmospheric pressure; Molecular weight: 277.99 g/mol. Solubility: low in water, medium in nonpolar and polar organic solvents. Appearance: solid, crystalline powder or flakes. Chemical compatibility: stable under ambient conditions, but reacts strongly with alkali metals and strong nucleophiles. Most suppliers stipulate purity ≥98%, with trace moisture and halide levels strictly controlled. This level of detail comes straight from years of bench-scale chemistry—there are no shortcuts if clean, high-yield reactions are your goal.

Role in Industrial Chemistry and as a Raw Material

Industry needs specialty halogenated aromatics for their high-impact uses, like advanced coatings, specialty polymers, agrochemicals, and various life science research projects. I’ve run into this molecule where companies wanted to spike a fragment library with challenging, highly fluorinated arenes. These compounds rarely come from small molecule assembly—engineers rely on high-purity batches synthesized in multi-ton reactors. Procurement focuses on reliable lot sizes, transparent quality documentation, and up-to-date safety data. Research groups must work in close step with suppliers when developing new routes to minimize hazardous byproducts and environmental impact.

Hazardous and Environmentally Harmful Aspects, with Solution Paths

Anytime halogenated or fluorinated aromatics come into play, there’s a question of toxicity and environmental fate. Materials like 1-Bromo-3,5-difluoro-4-(trifluoromethoxy)benzene don’t break down easily in the wild, so the threat of accumulation persists. I’ve watched regulatory agencies shift toward tighter controls in response to these concerns. Workers and communities alike keep closer tabs on chemical storage and processing locations, relying on strict containment, engineering controls, and responsible sourcing. Some forward-leaning companies invest in greener alternatives—fluorine-free or lower-impact analogs—when applications allow, and waste streams get monitored through continuous sampling and third-party audits. These steps support a balance between innovation and sustainability, with everyone from lab scientists to environmental activists calling for a better chemical footprint, not just in theory, but out in the manufacturing zones and supply chains where real risk shows up.