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HS Code |
813369 |
| Productname | Methyl 2-Nitro-4-Bromobenzoate |
| Casnumber | 63134-19-2 |
| Molecularformula | C8H6BrNO4 |
| Molecularweight | 260.04 |
| Appearance | Yellow crystalline powder |
| Meltingpoint | 91-95°C |
| Purity | Typically ≥98% |
| Solubility | Slightly soluble in water; soluble in organic solvents |
| Density | 1.71 g/cm3 (approx) |
| Smiles | COC(=O)c1cc(Br)ccc1[N+](=O)[O-] |
| Inchi | InChI=1S/C8H6BrNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3 |
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Methyl 2-Nitro-4-Bromobenzoate, labeled in some labs as model 13799-49-6, draws attention across chemical synthesis circles as a valuable intermediate. With a molecular formula of C8H6BrNO4 and a molecular weight sitting around 260.04 g/mol, this compound often comes as a pale yellow solid. Those who have spent any time working in organic synthesis or the pharmaceutical sector recognize how distinct properties drive the choice of chemicals. What I’ve seen over years of collaborating with researchers points to one thing: reliability and flexibility top the wish list, and this molecule consistently proves its worth.
Anyone who’s ever worked up a benzene ring knows the challenge of balancing reactivity with selectivity. Methyl 2-Nitro-4-Bromobenzoate brings both to bench work. Used widely in medicinal chemistry, it often acts as a springboard for creating active pharmaceutical ingredients. The bromine and nitro groups open doors for further transformations. Both serve as “handles” for reactions like Suzuki-Miyaura or Buchwald-Hartwig couplings. Instead of being dead ends, these groups let chemists diversify their molecule without unnecessary detours. You notice its presence in multi-step synthetic routes leading up to blockbuster drug scaffolds and agrochemical candidates. Even folks working with advanced materials appreciate what it brings to the table as a core component in aromatic frameworks.
The presence of a methyl ester group adds another layer, too. If you’ve ever performed a saponification or a selective reduction, you know the importance of a group that gives up its methyl group under predictable conditions. This design means research teams can follow well-trodden paths, saving time and resources. Working as a contractor for a startup incubator, I saw early-stage companies lean on this molecule for ease of modification. Testimonials from chemists tell me the compound withstands a fair amount of handling without unwanted side reactions, important when scaling up from milligram to multi-gram levels.
Back in my graduate lab days, we tested alternative brominated nitrobenzoates, but the methyl ester always stood out for its ease in downstream modifications. Ethyl or propyl analogues offered longer chains, but reaction yields dropped off or conditions became fussier. Even small details—like how quickly the compound crystallizes or dissolves—matter during scale-up. Methyl 2-Nitro-4-Bromobenzoate dissolves in a variety of common lab solvents like dichloromethane and ethyl acetate so you don’t get stuck with an unruly sludge that takes hours to clean up.
Take an unsubstituted benzoate for comparison. You lose out on the dual reactivity that bromine and nitro guarantee. In cross-coupling reactions, bromine surpasses chlorine analogs, which sometimes require harsher conditions, leading to partial decomposition or stubborn byproducts. Nitro groups pull electrons, making the aromatic ring more susceptible to nucleophilic attack—a feature harnessed in designing complex molecular architectures. Trying to use a halogen other than bromine brings headaches: iodo compounds often cost more, and chlorinated versions rarely live up to expectations in lab or industrial settings.
One factor I appreciate is the relative stability and shelf life of this compound. Standard storage away from extremes in moisture and light keeps the compound serviceable for months. Powder remains free-flowing and doesn’t clump, which matters both in hand dosing and automated weighing systems. During production, suppliers carefully control impurities to sharpen reaction profiles downstream. Minute levels of unreacted starting material or side products from its synthesis can derail delicate transformations later, as I learned when I was troubleshooting a stubborn yield drop in an intermediate coupling step.
Glassware cleans up easily after working with this compound. Anyone doing column chromatography will welcome the fact that eluents don’t have to be exotic blends. Neutral conditions suffice. If you’ve ever been short on time and running late on a Friday, small conveniences like this add up across projects. Industrial users echo similar sentiment, telling me that trouble-free batch records translate into consistent goods, week in and out.
The pharmaceutical world rides on reliable intermediates, and this one checks the boxes for robust, scalable chemistry. I’ve seen it feed into lead optimization programs, where SAR (structure-activity relationship) must be explored rapidly. Its neat structure lets design teams swap out groups or dial in new bioactivity without reinventing synthetic pathways. I once participated in a program seeking new kinase inhibitors; Methyl 2-Nitro-4-Bromobenzoate gave us the wiggle room to test a dozen analogues from a single precursor, cutting weeks off the timeline.
Outside pharma, specialty chemical makers value it for its contribution to advanced pigments and polymers. Small adjustments in building blocks can radically change thermal stability or colorfastness—two properties that often make or break a commercial launch. Academic groups also report that the compound brings predictability to challenging cross-coupling reactions in material science experiments. Such versatility isn’t just theoretical. It’s born from the track record across real-world settings—vetted in multi-user environments where reproducible results matter more than advertising claims.
Supply and regulatory compliance shape research plans. Methyl 2-Nitro-4-Bromobenzoate doesn’t appear on major controlled substance lists, offering a smoother path through purchasing channels. I remember an early-career project derailed by a delayed, hard-to-source building block. Companies and research outfits want to avoid such pitfalls, and those who rely on this compound know it generally ships without regulatory hang-ups. Responsible manufacturers apply strict quality checks. Analytical methods such as NMR, HPLC, and GC-MS verify identity and purity batch by batch, providing peace of mind for teams under deadline.
More suppliers move toward green chemistry, optimizing processes to minimize waste and reduce use of hazardous reagents. I’ve seen partners invest in greener bromination steps or catalyzed nitrations that generate less heat and fewer harsh byproducts. Stakeholders, from lab managers to procurement officers, increasingly look for life cycle impact data. The compound’s provenance—whether produced using energy-efficient methods or recovered solvents—factors into purchasing decisions, especially for organizations with public environmental goals.
No chemical ever solves every problem without tradeoffs. With Methyl 2-Nitro-4-Bromobenzoate, the nitro group demands attention during scale-up or waste disposal. Nitroaromatics sometimes call for extra steps in effluent treatment, especially in larger operations. Those working in smaller, academic settings face tighter space or budget constraints for environmental controls. I’ve helped labs set up onsite neutralization or earmarked batches for specialized waste processing, cutting compliance risks and cost overruns down the line.
Another issue: access to detailed handling data. Not all suppliers offer comprehensive storage or behavioral guides when things move from R&D to kilogram scales. Teams new to the compound sometimes run into issues with moisture ingress or caking over long-term storage, which can impact weighing accuracy and batch homogeneity. A little more transparency, perhaps through user-shared best practices or enhanced supplier documentation, would make life easier for all stakeholders handling the compound.
A molecule’s story often reflects the community who uses it. Over two decades of scientist feedback, technical hurdles, and real-world troubleshooting reveal more than just data sheets. The value of Methyl 2-Nitro-4-Bromobenzoate lies as much in its adaptability and reliability as in its raw chemical structure. Developing best practices, from PPE standards to spill response, makes the compound’s journey across the supply chain safer while protecting people and processes. Research groups and manufacturers pooling their knowledge streamline problem-solving—whether refining purification steps, tuning reaction parameters, or improving throughput.
Workshops and peer-sharing forums help organizations transition lessons from benchtop mishaps into safe handling guides or checklist-driven workflows. New graduates entering industry often benefit from hands-on sessions with senior chemists who’ve clocked countless hours with these aromatic esters. Experienced staff translate regulatory updates into frontline SOPs. As chemical regulations tighten worldwide, these incremental steps safeguard worker health and prevent costly recalls or legal headaches tied to downstream products.
Reproducibility remains a top priority in both academic and commercial labs. Analytical rigor—whether tracking purity to four decimal places or flagging trace metal contamination—flies under the radar until a key reaction stalls. I have worked on synthesis projects where only subtle impurities, missed by spot checks, slowed down critical runs. Good suppliers don’t cut corners, offering chromatogram data or COAs mapped directly to each batch.
Some organizations take testing a step further, collaborating with third-party labs to cross-validate results. Testing under different stress conditions—thermal, UV, moisture—flags degradation early, guiding improvements to packaging and storage. Companies who share data on batch consistency and real-world scenarios, rather than generic claims, build loyalty among high-end users, who need consistent quality to pass strict regulatory hurdles.
Advances in catalysis, greener synthetic pathways, and AI-driven process design change how researchers approach building blocks like Methyl 2-Nitro-4-Bromobenzoate. I once participated in a consortium exploring ways to cut reaction steps and toxic byproducts. Chromatographic efficiency, energy consumption, and byproduct treatment all came into focus. Community-based innovation—for instance, sharing successes in alternative solvents or greener purifications—drives broad improvement across the user base.
With the line between materials research and pharmaceutical chemistry blurring, adaptable intermediates stand in higher demand. Custom derivatization—for OLEDs, high-temperature polymers, bioactive probes—means old rules about off-the-shelf intermediates need adjustment. Suppliers that respond to requests for specification tweaks or “design to order” synthesis capture business once limited to bespoke contract research agreements. Research teams who plug into these networks save cost and jumpstart their own development times.
Transparency between manufacturers, suppliers, and end users forms the foundation of trust—and regulatory compliance. Open communication about process changes, composition adjustments, and quality metrics shifts the market from opaque supply to enlightened stewardship. Buyers ask tougher questions about hazardous byproducts, water usage, and process energy, which in turn pressures suppliers to deliver smarter solutions. Over time, wider adoption of green synthesis protocols in the Methyl 2-Nitro-4-Bromobenzoate supply chain reduces environmental impacts and positions the industry to respond to policy shifts, climate pressures, and public health expectations.
Communities built around responsible chemical usage—whether in academic consortia or private industry—champion standardized assessment tools and easy-to-understand hazard guides. Internal audits, paired with supplier reviews, let teams stay nimble as best practices evolve. As demands on chemists increase, this team-based approach to product stewardship lifts standards across the field, pushing safe, reliable, and cost-effective usage forward.
Methyl 2-Nitro-4-Bromobenzoate may not look extraordinary at first glance, but those who’ve worked with it learn to rely on its consistency and versatility. It serves the daily reality of organic chemistry—the subtle blend of precision, predictability, and real-world adaptation. From new drug R&D programs to advanced polymer synthesis, the compound’s role connects today’s experiments with tomorrow’s therapies, technologies, and products. Years of use, improved manufacturing, and a growing base of real-world evidence make this aromatic ester a safer bet than flashier but less-proven alternatives.
The difference boils down to trust. Trust in the molecule’s behavior through hundreds of reaction cycles. Trust in the supply chain to deliver on time and according to rigorous standards. And trust in the community’s accumulated know-how, providing a bedrock for new users to build upon. Methyl 2-Nitro-4-Bromobenzoate illustrates how the right intermediate isn’t just a chemical—it’s a tool shaping the possibilities of modern science, one experiment at a time.