1-Bromo-4-Tert-Butylbenzene: Physical Properties and Essential Information

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

1-Bromo-4-Tert-Butylbenzene, a compound often used in organic synthesis and research, stands out thanks to its unique structure and reliable behavior in both laboratory and industrial settings. This chemical, recognized by the molecular formula C10H13Br, combines a bromine atom attached to a benzene ring where a tert-butyl group sits opposite the halogen. For researchers, chemists, and industry professionals handling specialty chemicals, the material’s predictable characteristics often mean fewer surprises and more efficient results during processes like coupling reactions or as a building block in more complex syntheses.

Product Appearance and Physical Properties

This compound generally appears as a white to off-white crystalline solid or powder, sometimes taking on the look of pearls or flakes depending on the method of preparation and purification. The solid feels dry, and under laboratory lighting, it reflects crystalline textures. With a melting point near 45–48°C, it transitions easily to liquid under moderate heating, which can be useful when preparing solutions for organic reactions. 1-Bromo-4-Tert-Butylbenzene typically registers a density of about 1.2 grams per cubic centimeter at room temperature, making it heavier than water but manageable during transfers or scale-ups. Solubility stays low in water but improves in organic solvents like ether and chloroform, which aligns with the needs of synthetic chemists seeking to purify or manipulate the substance. The stability of the material even under prolonged bench exposure gives practical reassurance during weighing and handling.

Chemical Structure and Material Composition

The chemical structure reveals a benzene ring, a central backbone to which both the bromine atom and the bulky tert-butyl group attach at opposite positions. That spacing keeps the molecule from overlapping reactivity zones, giving chemists precise control over further substitutions or reactions. In mass and molecular accuracy, 1-Bromo-4-Tert-Butylbenzene records a molecular weight of about 213.12 g/mol, reflecting the contribution of both the halogen and the bulky alkyl group. The bond arrangement stabilizes the molecule, showing resistance against acid and base attacks in many conventional reaction mixtures, which allows for versatility during multi-step syntheses. Professionals value such predictability; irregular chemical performance slows down progress and increases costs.

Specifications and Safe Handling

Any technical sheet on this substance will include details such as purity levels (often upwards of 98%), moisture content, and residual solvents, which can impact reactivity. The integrity of every gram makes a difference, especially when working at scale or for sensitive pharmaceuticals and specialty chemicals. Storage requirements recommend cool, dry conditions—preferably below 25°C and away from strong oxidizers. The crystalline nature simplifies both transport and measurement, but proper labeling and sealed packaging are non-negotiable for both safety and quality control. Lab experience shows that even a slight exposure to moisture or reactive air speeds up decomposition, introducing contaminants that complicate downstream tasks. For identification in global commerce, the HS Code often applied to 1-Bromo-4-Tert-Butylbenzene is 2903699090, which aligns it with other halogenated aromatic hydrocarbons.

Hazards, Raw Materials, and Responsible Use

Like most organobromine chemicals, this compound deserves respect for both its functional advantages and its potential health risks. Direct skin contact or inhalation of dust can cause irritation, and the compound has been flagged as harmful if ingested. Fume hoods, nitrile gloves, and eye protection remain standard kit during any manipulation; overlooked precautions can lead to workplace incidents or personal harm. Disposal requires care as municipal waste streams do not handle halogenated organics well, which emphasizes a larger conversation on chemical stewardship among researchers and production teams. While regulatory frameworks guide shipping and waste, deeper responsibility falls on every user to limit solvent waste, prevent accidental releases, and store materials with up-to-date safety documentation. The necessity for raw materials in chemical production puts a spotlight on refining processes for reduced impurity and greater efficiency, reflecting a broader movement toward greener, more sustainable practices.

Application and Value in Industrial and Research Settings

This material goes to work as a staple in making advanced pharmaceuticals, specialty polymers, and agrochemicals. The reliable functional group placement accomplishes tasks from cross-coupling with transition metals to serving as an intermediate for more complex molecular architectures. Research labs value such building blocks not just for their immediate reactivity but for the options they open in route design and product optimization. In industrial practice, precise and verified specifications allow batch scaling with fewer failed runs, saving time and resources. Reliable access to high-purity 1-Bromo-4-Tert-Butylbenzene supports faster development cycles and enables companies to bring innovative materials into play, which ripples through end-user markets that rely on cutting-edge chemistry for improved products and medicines.

Molecular and Analytical Details

Molecular analysis often reveals high-quality single crystals, which allow for studies via X-ray crystallography—important for confirming the integrity of synthesized batches. The molecular arrangement resists unwanted side reactions due to the steric shielding from the tert-butyl group, reducing by-products in many catalytic transformations. Clear spectral signatures in NMR and IR facilitate easy tracking in both routine quality assurance and research-level studies, further supporting traceability from raw material shipment through to final product approval. Every batch, carefully checked against detailed standards, adds layers of confidence for both researchers and scale-up professionals, a factor that should never be underestimated when timelines and downstream costs hang in the balance.