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What is the main use of 4-Fluorobenzene-1,3-Dicarbonitrile?
4 - Fluorobenzene - 1,3 - Dicarbonitrile (4 - fluorobenzene - 1,3 - dinitrile) is a crucial compound in the field of organic synthesis. Its main uses are numerous and are described below.
In the field of materials science, this compound is often a key starting material for the preparation of advanced functional materials. Due to its special molecular structure, the introduction of fluorine atoms imparts unique electronic properties to molecules, while dinitrile groups provide active check points that can participate in a variety of chemical reactions. Based on this, carefully designed synthesis paths can prepare materials with excellent electrical and optical properties, such as organic semiconductor materials. These materials have great application potential in electronic devices such as organic Light Emitting Diodes (OLEDs) and organic field effect transistors (OFETs), which can improve the performance and stability of the devices, and help the development of electronic devices to be thin, efficient, and low energy consumption.
In the field of medicinal chemistry, 4-fluorobenzene-1,3-dinitrile also plays an important role. Its structure can be used as a key part of pharmacophore or as an important module for building complex drug molecules. Due to the specific structure-activity relationship between structure and biological activity, chemists can use this as a lead structure to design and synthesize compounds with novel structures and potential biological activities by modifying and derivatizing them, and then screen new drugs for specific disease targets. For example, in the development of anti-tumor drugs, compounds derived from this basis may inhibit tumor growth and spread by affecting specific signaling pathways of tumor cells.
Furthermore, in the field of fine chemicals, 4-fluorobenzene-1,3-dinitrile can be used as an important intermediate for the synthesis of special dyes, pigments and additives. With its structural characteristics, it can participate in a series of reactions to generate dyes and pigments with unique colors, light resistance, and chemical corrosion resistance, which are widely used in textiles, coatings, and other industries. As an additive, it can improve some properties of materials, such as improving the flame retardancy of plastics, enhancing the anti-wear properties of lubricants, etc., thereby enhancing the quality and added value of related products.
What are the physical properties of 4-Fluorobenzene-1,3-Dicarbonitrile?
4-Fluorobenzene-1,3-dinitrile, this is an organic compound. Its physical properties are quite important and are related to many practical applications.
Looking at its appearance, under room temperature and pressure, it is mostly white to light yellow crystalline powder. This form is easy to store and transport, and it is also easy to handle in various reaction systems.
The melting point is about 118-122 ° C. The characteristics of the melting point are of great significance for its purification and identification. Under specific temperature conditions, the substance changes from a solid state to a liquid state, and its purity can be determined accordingly. If there are many impurities, the melting point tends to decrease and the melting range becomes wider.
In terms of boiling point, it is about 331.5 ° C. The boiling point determines the temperature at which the compound will change from liquid to gaseous state. In the separation and purification process, such as distillation operations, the boiling point information is extremely critical, which can be used to separate it from other substances with different boiling points.
Solubility is also an important property. 4-Fluorobenzene-1,3-dinitrile is insoluble in water, but soluble in organic solvents such as dichloromethane, chloroform, N, N-dimethylformamide and other organic solvents. This difference in solubility makes it possible to select suitable solvents according to needs in the reaction to promote the smooth progress of the reaction. Good solubility in organic solvents such as dichloromethane is conducive to its participation in various reactions as reactants or intermediates in organic synthesis. The density of
is about 1.33 g/cm ³. This data is indispensable in terms of material ratio and volume calculation of the reaction system, and can provide an accurate quantification basis for experimental operation.
Its stability is also worthy of attention. Under normal storage and conventional reaction conditions, 4-fluorobenzene-1,3-dinitrile has certain stability. In case of high temperature, open flame or strong oxidant, dangerous reactions may be caused. Therefore, such improper conditions should be avoided during storage and use to ensure safety.
What are the chemical properties of 4-Fluorobenzene-1,3-Dicarbonitrile?
4-Fluorobenzene-1,3-dinitrile is one of the organic compounds. It has special chemical properties, let me tell you in detail.
In terms of its physical properties, under room temperature, or as a solid state, the color state is pure and uniform. Looking at its solubility, in organic solvents, such as alcohols and ethers, it may have a certain solubility. This is due to the intermolecular force, its polarity is similar to that of organic solvents, so it is miscible.
As for chemical properties, cyano (-CN) is one of its active groups. Cyano is nucleophilic and can participate in many nucleophilic reactions. In case of electrophilic reagents, the carbon atom of the cyanyl group can provide electron pairs to react with it. For example, in the hydrolysis reaction, the cyanyl group can be converted into a carboxyl group (-COOH) under the catalysis of an acid or base. In this process, the cyanyl group is first added with water to form an amide intermediate, and then further hydrolyzed to a carboxylic acid.
In addition, the introduction of fluorine atoms also endows this substance with unique properties. Fluorine atoms are highly electronegative, which can affect the electron cloud distribution of molecules. Due to the strong electron-absorbing ability of fluorine atoms, the electron cloud density of the benzene ring is reduced, resulting in changes in the activity of electrophilic substitution reactions on the benzene ring. Compared with the unfluorinated analogues, the electrophilic substitution reaction check point may be different, and the reaction conditions may be more severe.
In addition, this substance may participate Cyanyl groups can coordinate with certain metal catalysts to promote molecular coupling and build more complex organic structures. This has great application potential in the field of organic synthesis chemistry.
In summary, 4-fluorobenzene-1,3-dinitrile exhibits diverse chemical properties due to its cyanyl and fluorine atoms, and has important research and application value in many fields such as organic synthesis.
What are the synthesis methods of 4-Fluorobenzene-1,3-Dicarbonitrile?
The synthesis of 4-fluorobenzene-1,3-dinitrile is an important topic in the field of organic synthesis. To synthesize this substance, there are several common methods.
First, it can be started from fluorobenzene derivatives. First, take the appropriate fluorobenzene and react with the reagent that can introduce the cyanide group. For example, take 4-fluoro-isophthalic acid as the raw material, convert it into the corresponding acid chloride, and then react with the cyanide reagent, such as cuprous cyanide, and borrow the nucleophilic substitution mechanism to replace the chlorine atom of the acid chloride with the cyanide group, thereby obtaining 4-fluorobenzene-1,3-dinitrile. This process requires attention to the control of reaction conditions, such as reaction temperature and solvent selection. If the temperature is too high, it may cause side reactions and cause impure products; the solvent needs to be able to dissolve the raw materials and reagents without unfavorable side reactions with the reactants.
Second, it can also be achieved through the cyanylation of halogenated aromatics. Take 4-halogenated-1,3-dinitrile compounds, in which the halogen atoms can be chlorine, bromine, etc., and perform halogen exchange reactions with fluoride. In this reaction, the choice of fluorine source is very critical. Common fluorinating reagents such as potassium fluoride need to be in the presence of appropriate phase transfer catalysts to effectively improve the reaction efficiency and selectivity. The phase transfer catalyst can promote the smooth progress of the reaction between different phases and accelerate the reaction rate.
Furthermore, the coupling reaction catalyzed by palladium is also feasible. The halogenated aromatics containing fluorine react with the cyanyl source under the joint action of palladium catalyst, ligand and base. The palladium catalyst can activate the substrate, promote the breaking of the carbon-halogen bond and couple with the cyanyl source. The ligand can adjust the activity and selectivity of the palladium catalyst, and the base participates in the reaction mechanism and promotes the reaction. This method requires more precise reaction conditions. The amount of catalyst and ligand, reaction time and other factors will affect the yield and purity of the product.
The above synthetic methods have their own advantages and disadvantages. In practical application, when considering factors such as the availability of raw materials, cost, difficulty in controlling reaction conditions, and requirements for product purity, choose the most suitable one.
What are the precautions for 4-Fluorobenzene-1,3-Dicarbonitrile during storage and transportation?
4 - Fluorobenzene - 1,3 - Dicarbonitrile, that is, 4 - fluorobenzene - 1,3 - dinitrile, there are many matters that need to be paid attention to during storage and transportation.
The first to bear the brunt of the storage environment. It is necessary to find a cool, dry and well-ventilated place, away from fire and heat sources. Because of its heat, it is easy to cause dangerous reactions, and it is afraid of moisture, humid environment or deterioration, which will affect quality and performance. And it should be stored separately from oxidants, acids, alkalis and other substances, and must not be mixed. Because these substances come into contact with it, or trigger violent chemical reactions, causing accidents.
When transporting, the packaging must be solid and stable. It is necessary to choose packaging materials that meet the relevant standards to prevent the package from being damaged due to collision and vibration during transportation, resulting in the leakage of items. Transportation vehicles should also be equipped with corresponding fire equipment and leakage emergency treatment equipment. Transportation personnel must be professionally trained and familiar with the characteristics of the transported items and emergency response methods. During driving, always pay attention to road conditions and vehicle conditions, and avoid intense operations such as sudden braking and sharp turns to prevent damage to the packaging.
The loading and unloading process should not be ignored. Operators should load lightly, and it is strictly forbidden to drop or drag to prevent the packaging from breaking. If there is a leak at the loading and unloading site, effective measures should be taken immediately, such as evacuating personnel, sealing the site, and collecting and cleaning with suitable materials to avoid the expansion of pollution. In conclusion, whether it is storing or transporting 4-fluorobenzene-1,3-dinitrile, it is necessary to strictly follow relevant regulations and operating procedures to ensure safety.