• 1. An approach to 7-aza-1-phosphanorbornane complexes: strain promoted rearrangement of 1-iminylphosphirane complexes and cycloaddition with olefins?
  Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
• 2. An apparatus for testing water by measurement of its electrical conductivity
  Analyst, 1912,37, 538-543
• 3. An alumina stabilized graphene oxide wrapped SnO2 hollow sphere LIB anode with improved lithium storage?
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• Solvents and Organic Chemicals Organic Compounds Hydrocarbons

Comprehensive Guide to 2-Bromo-4-methoxybenzonitrile (CAS No. 140860-51-1): Properties, Applications, and Industry Insights

2-Bromo-4-methoxybenzonitrile (CAS No. 140860-51-1) is a specialized organic compound widely recognized in pharmaceutical and agrochemical research. This brominated aromatic nitrile derivative features a methoxy group at the 4-position, making it a versatile intermediate for synthesizing complex molecules. Its molecular formula C₈H₆BrNO and molecular weight of 212.05 g/mol position it as a critical building block in modern synthetic chemistry.

The compound's unique structure, combining a cyano group and a bromine substituent, enables diverse reactivity patterns. Researchers frequently employ it in cross-coupling reactions, particularly Suzuki-Miyaura and Buchwald-Hartwig couplings, to construct biaryl systems. Recent studies highlight its role in developing fluorescence probes and photoactive materials, aligning with the growing demand for organic electronic components.

In pharmaceutical applications, 2-Bromo-4-methoxybenzonitrile serves as a precursor for kinase inhibitors and antiviral agents. The methoxybenzonitrile scaffold appears in several FDA-approved drugs, driving interest in this compound's derivatization potential. Analytical data shows >98% purity is typically achieved through recrystallization from ethanol/water mixtures, with characteristic H-NMR peaks at δ 7.85 (d, J=8.8 Hz), 7.05 (d, J=2.4 Hz), and 6.95 (dd, J=8.8, 2.4 Hz).

Environmental considerations for CAS 140860-51-1 include proper waste management of halogenated byproducts. The compound's biodegradation pathway has been studied using LC-MS techniques, showing complete mineralization within 28 days under optimized conditions. These findings address increasing regulatory focus on green chemistry principles in fine chemical production.

Market analysis reveals growing demand for brominated aromatic nitriles, with 2-Bromo-4-methoxybenzonitrile shipments increasing 12% annually since 2020. This trend correlates with expanded research into crop protection chemicals and OLED materials. Storage recommendations include amber glass containers under inert atmosphere at 2-8°C to maintain stability, with typical shelf life exceeding 36 months when properly preserved.

Spectroscopic characterization of 140860-51-1 shows distinctive IR absorption bands at 2225 cm^-1 (C≡N stretch) and 1250 cm^-1 (C-O-C stretch). These spectral features enable reliable quality control during large-scale production. Recent process optimization has reduced production costs by 18% through improved bromination selectivity in the precursor synthesis.

The compound's crystallographic data reveals a monoclinic crystal system (space group P2₁/c) with unit cell parameters a=7.542 ?, b=12.873 ?, c=8.216 ?, β=98.75°. This structural information proves valuable for computational modeling of molecular interactions in drug design applications. Researchers are particularly interested in its potential for creating allosteric modulators of protein targets.

Handling 2-Bromo-4-methoxbenzonitrile requires standard organic chemistry precautions. While not classified as hazardous under current regulations, appropriate PPE including nitrile gloves and chemical goggles is recommended during manipulation. The compound's vapor pressure of 0.012 mmHg at 25°C indicates low volatility, reducing inhalation risks during normal laboratory use.

Emerging applications include incorporation into metal-organic frameworks (MOFs) for gas storage and as a directing group in C-H activation reactions. These developments position CAS 140860-51-1 as a compound of continuing scientific interest, particularly in catalysis research and materials science innovations.

Quality specifications for commercial 2-Bromo-4-methoxybenzonitrile typically require ≤0.5% total impurities by HPLC, with moisture content <0.1% (Karl Fischer). Leading manufacturers now provide certificates of analysis including residual solvent screening and heavy metal testing to meet stringent pharmaceutical industry requirements.

Transport regulations classify this material as non-dangerous goods for most shipping methods. However, some carriers require special documentation for brominated organic compounds. Proper labeling should include the CAS number 140860-51-1 and appropriate GHS pictograms based on regional chemical inventory listings.

Future research directions may explore the compound's utility in click chemistry applications and as a precursor for heterocyclic compounds. The methoxybenzonitrile core continues to attract attention in medicinal chemistry due to its favorable pharmacokinetic properties and metabolic stability in biological systems.

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