4 Cyano 3 Fluorobenzyl Bromide
Fluorine Difluoride Fluorobenzene Fluorobenzyl Trifluorotoluene
4-Cyano-3-fluorobenzyl bromide
Chemical Formula C8H5BrFNO
Molecular Weight 232.03
Appearance Solid (Typical)
Cas Number 143807-50-7
Melting Point 52 - 54 °C
Solubility In Water Insoluble
Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform
Purity Typically high - purity grades available (e.g., 95%+)
Chemical Formula C8H5BrFNO
Molecular Weight 230.03
Appearance Solid (Typical)
Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform, ethyl acetate
Density Estimated around 1.6 - 1.8 g/cm³ (Based on similar bromo - and fluoro - substituted aromatic compounds)
Purity Typically sold in high purity, e.g., 95%+ in commercial products
Flash Point Estimated: around 120 - 140°C (Based on related organic compounds)
FAQ

What are the main uses of 4-Cyano-3-fluorobenzyl bromide?

4-Cyano-3-fluorobenzyl bromide is an organic compound. It has a wide range of uses and is particularly important in the field of organic synthesis.

First, it is often used as an alkylation agent. In many organic reactions, benzyl can be introduced into other compound molecules. For example, it reacts with nucleophiles, such as alcohols, phenols, amines, etc., to generate corresponding ethers or amines. This process is like building a delicate chemical structure building. Each alkylation reaction adds to the building, helping to build more complex and diverse organic molecular structures.

Second, it has made great contributions to the field of medicinal chemistry. Due to its unique chemical structure, it can introduce specific functional groups into drug molecules, thereby changing the physicochemical properties and biological activities of drugs. In the process of drug development, the lead compounds are structurally modified with the help of 4-cyano-3-fluorobenzyl bromide, thereby enhancing the efficacy of drugs and reducing toxic and side effects. Just like the "key" of drugs is carefully crafted, so that it can more accurately open the "lock" of disease treatment.

Third, it also plays a role in materials science. It can participate in the preparation of materials with special properties, such as functional polymer materials. By polymerizing with other monomers, materials are endowed with special properties such as fluorescence and electrical conductivity, which is like endowing materials with special "super powers" to meet the needs of different fields for special properties of materials.

In short, 4-cyano-3-fluorobenzyl bromide plays an indispensable role in many fields such as organic synthesis, medicinal chemistry, and materials science due to its unique chemical properties, providing many possibilities for the development and practical application of chemical science.

What are the physical properties of 4-Cyano-3-fluorobenzyl bromide?

4-Cyano-3-fluorobenzyl bromide, this is an organic chemical. Its physical properties are crucial, and it is related to many chemical processes and practical applications.

First, its appearance is usually white to light yellow crystalline powder. This color and morphology are important for its preliminary identification. In laboratory or industrial scenes, its purity and properties can be initially judged by looking at its color state.

times and melting point, the melting point of this substance is about [X] ° C. Determination of melting point is a key means for determining its purity. If the melting point of the sample is consistent with the literature and the melting range is narrow, it indicates that the purity is quite high; conversely, the melting range width may contain impurities. The melting point also affects its physical state under different temperature conditions, which in turn affects the process of related reactions.

Furthermore, the boiling point, although due to its special properties, decomposes under normal pressure or before reaching the boiling point, under specific pressure conditions, its boiling point is about [X] ℃. The boiling point data is of great significance for distillation, separation and other operations, so that it can be selected to purify the substance.

Solubility is also a key property. 4-Cyano-3-fluorobenzyl bromide is slightly soluble in water, but soluble in common organic solvents such as dichloromethane, chloroform, ether, etc. This difference in solubility lays the foundation for its separation and extraction in organic synthesis. In the reaction system, according to its solubility, a suitable solvent can be selected to promote the efficient reaction, and it is conducive to the separation and purification of the product.

In addition, the density of the substance is about [X] g/cm ³. Density data are indispensable in accurate measurement and the ratio of reactants to ensure that the reaction progresses smoothly according to the established stoichiometric relationship to obtain the expected product.

In summary, the physical properties of 4-cyano-3-fluorobenzyl bromide, such as appearance, melting point, boiling point, solubility and density, play a key role in organic synthesis, chemical analysis and related industrial production. In-depth understanding and accurate grasp of it are the cornerstones for the efficient use of this substance.

What is the chemical synthesis method of 4-Cyano-3-fluorobenzyl bromide?

To prepare 4-cyano-3-fluorobenzyl bromide, the following method can be followed.

Take 4-cyano-3-fluorotoluene as the starting material, which is the key thing. It is placed in a light environment, and a brominating agent such as N-bromosuccinimide (NBS) is introduced, and benzoyl peroxide (BPO) is used as the initiator. Under light, BPO decomposes first to produce a free radical, which leads to the separation of hydrogen atoms at the benzyl position in 4-cyano-3-fluorotoluene to generate benzyl free radicals. The bromine atom in NBS is affected by free radicals and combines with it to obtain 4-cyano-3-fluorobenzyl bromide. When reacting, the choice of solvent is very important. An inert solvent such as carbon tetrachloride can be selected to facilitate the smooth progress of the reaction and minimize side reactions.

Or take another approach, start with 4-cyano-3-fluorobenzoic acid, and by reduction method, such as sodium borohydride (NaBH) and aluminum trichloride (AlCl), its carboxyl group can be reduced to hydroxymethyl to obtain 4-cyano-3-fluorobenzyl alcohol. Subsequently, the alcohol is co-heated with hydrobromic acid (HBr), and the hydroxyl group of the alcohol is replaced by a bromine atom, and 4-cyano-3-fluorobenzyl bromide can also be obtained. In this path, the reduction step needs to pay attention to the control of the reaction conditions to ensure that the reduction reaction is complete and does not damage the cyanyl and fluorine atoms. In the hydrobromic acid substitution step, the temperature control is very critical. If it is too high, it is easy to produce side reactions, and if it is too low, the reaction will be slow.

The above two methods have their own advantages and disadvantages. The former is the method of photobromination, and the steps are straight, but the free radical reaction or by-products are heterogeneous; the latter is reduced first and then replaced. Although the steps are slightly complicated, the reaction sel In practical operation, careful decisions should be made based on the availability of raw materials, equipment conditions, and the purity of the product.

4-Cyano-3-fluorobenzyl bromide during storage and transportation

4-Cyano-3-fluorobenzyl bromide is an important reagent commonly used in organic synthesis. During storage and transportation, many points need to be paid attention to.

One is related to storage. This substance is quite sensitive to environmental conditions and should be stored in a cool, dry and well-ventilated place. If the temperature is too high, it is easy to change its chemical properties and accelerate decomposition; if the humidity is too high, it may cause adverse reactions such as hydrolysis. Therefore, it is necessary to keep away from heat sources and water sources to prevent deterioration. At the same time, it should be stored separately from oxidants, strong bases and other substances. Because of its active chemical properties, contact with the above substances may trigger violent chemical reactions and cause safety accidents. In addition, storage containers are also crucial. A well-sealed container must be used. Glass bottles or specific plastic containers are often used to ensure that they do not react with the material of the container and can effectively prevent volatilization and leakage.

Second, when transporting. Be sure to ensure that the packaging is stable to prevent damage to the container due to collision and vibration. During transportation, temperature and humidity also need to be strictly controlled. Temperature-controlled transportation equipment can be used to maintain a suitable temperature range. And transportation personnel need to be familiar with the characteristics of this chemical and emergency treatment methods. If there is a leakage on the way, they can deal with it in time. In case of leakage, the scene should be quickly isolated, surrounding personnel should be evacuated, and fire should be strictly prohibited from approaching, because it may be flammable. When handling leaks, it is necessary to collect them with appropriate adsorption materials according to their characteristics, avoid direct contact, and take protective measures to prevent harm to the human body.

4-Cyano-3-fluorobenzyl bromide affect the environment and human health

4-Cyano-3-fluorobenzyl bromide is a commonly used reagent in organic synthesis. Its impact on the environment and human health cannot be ignored.

As far as the environment is concerned, if this compound is accidentally released in nature, it may have multiple effects. In soil, it may interact with soil components to change the chemical properties of the soil. Because it contains cyanide and halogen atoms, or inhibits the community structure and function of soil microorganisms, it hinders the material cycle and energy conversion of soil ecosystems. Inflow into water, the presence of halogen atoms may endanger aquatic organisms. Cyanide groups are more toxic, or cause damage to the physiological functions of aquatic organisms, or even death, thus disturbing the aquatic ecological balance.

As for human health, 4-cyano-3-fluorobenzyl bromide is potentially harmful. Inhaled through the respiratory tract, it may irritate the mucosa of the respiratory tract, causing uncomfortable symptoms such as cough and asthma. If exposed to this for a long time, it may cause damage to lung function. When exposed to the skin, its chemical activity may cause contact dermatitis, causing the skin to be red, swollen and itchy. If ingested carelessly, the toxicity of cyanide can interfere with the respiration of human cells, cause cellular hypoxia, damage the nervous system, cardiovascular system and other important organs, and endanger life and health. Therefore, when using 4-cyano-3-fluorobenzyl bromide, it is necessary to exercise caution and take comprehensive protective measures to reduce its harm to the environment and human health.