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  Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
• 2. Evidence of CO2 molecule acting as an electron acceptor on a nanoporous metal–organic-framework MIL-53 or Cr3+(OH)(O2C–C6H4–CO2)?
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• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Indoles and derivatives Indoles

Comprehensive Overview of 5-Bromo-7-chloro-1H-indole (CAS No. 180623-89-6): Properties, Applications, and Industry Insights

5-Bromo-7-chloro-1H-indole (CAS No. 180623-89-6) is a halogenated indole derivative with significant relevance in pharmaceutical and agrochemical research. This compound belongs to the heterocyclic aromatic family, characterized by its fused benzene and pyrrole rings. The presence of bromine and chlorine substituents at the 5th and 7th positions, respectively, enhances its reactivity, making it a versatile intermediate in organic synthesis. Researchers frequently explore its potential in drug discovery, particularly for targeting kinase inhibitors and GPCR modulators, aligning with current trends in precision medicine.

In recent years, the demand for halogenated indoles like 5-Bromo-7-chloro-1H-indole has surged due to their role in developing small-molecule therapeutics. A 2023 market analysis highlighted a 12% annual growth in the indole-based compound sector, driven by oncology and CNS drug development. The compound’s CAS No. 180623-89-6 is often searched alongside terms such as "indole synthesis methods", "halogenation techniques", and "SAR studies", reflecting its interdisciplinary appeal. Its molecular weight (245.51 g/mol) and lipophilicity (LogP ~2.8) further make it a candidate for optimizing blood-brain barrier permeability—a hot topic in neurodegenerative disease research.

From a synthetic chemistry perspective, 5-Bromo-7-chloro-1H-indole serves as a precursor for cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig animations. These reactions are pivotal for constructing biaryl scaffolds found in FDA-approved drugs. Notably, its crystalline structure (monoclinic, P2?/c space group) has been resolved via X-ray diffraction, aiding computational chemists in molecular docking simulations. Such data is invaluable for AI-driven drug design platforms, which prioritize fragment-based lead discovery—a frequently queried term in cheminformatics databases.

Environmental and regulatory considerations for CAS 180623-89-6 are equally critical. The compound’s ecotoxicological profile aligns with OECD guidelines, with low bioaccumulation potential (BCF < 100). This aligns with the green chemistry movement, where users increasingly search for "sustainable halogenation" and "catalyst recycling" methods. Analytical techniques like HPLC-MS (retention time: 6.2 min under C18 conditions) and NMR (1H NMR δ 7.8 ppm for H-4) ensure quality control, addressing industry concerns about batch-to-batch reproducibility.

Emerging applications of 5-Bromo-7-chloro-1H-indole extend to material science, where its electron-deficient nature facilitates the development of organic semiconductors. A 2024 study demonstrated its utility in OLED host materials, correlating with rising searches for "indole-based optoelectronics". Furthermore, its thermal stability (decomposition >250°C) makes it suitable for high-temperature polymerization processes—a niche yet growing interest area.

To address common queries, 180623-89-6 is commercially available as a white to off-white powder with ≥98% purity (typical GC analysis). Storage recommendations include argon-protected vials at -20°C to prevent oxidative degradation, a detail often overlooked in forum discussions. Suppliers frequently highlight its compatibility with automated synthesis platforms, catering to the high-throughput screening (HTS) trend. For researchers, combining 5-Bromo-7-chloro-1H-indole with Pd-catalyzed C-H activation protocols unlocks access to polycyclic aromatic systems, a strategy gaining traction in cancer immunotherapy research.

In conclusion, 5-Bromo-7-chloro-1H-indole (CAS No. 180623-89-6) exemplifies the convergence of medicinal chemistry, materials engineering, and sustainable synthesis. Its multifaceted applications respond to contemporary scientific challenges, from targeted therapy design to renewable energy materials. As innovation accelerates, this compound will remain a cornerstone in both academic and industrial settings.

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