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What is the main use of Benzeneacetonitrile, 2-Fluoro-5- (Trifluoromethyl) -?
2-Fluoro-5- (trifluoromethyl) phenylacetonitrile has a wide range of uses. In the field of pharmaceutical synthesis, it is often used as a key intermediate. Due to the special chemical structure of this compound, it can be reacted through various chemical reactions to build a number of complex and biologically active molecular structures, so it plays an indispensable role in the creation of new drugs.
In the field of pesticide development, 2-fluoro-5- (trifluoromethyl) phenylacetonitrile also occupies an important position. Due to its structural properties, it may endow pesticides with unique insecticidal, bactericidal or herbicidal effects. Through chemical modification and synthesis, it can be converted into various high-efficiency and low-toxicity pesticide products, which can help agricultural pest control and improve crop yield and quality.
In addition, in the field of materials science, the compound may provide unique properties for the development of new materials due to its special physicochemical properties, such as unique electronic effects and spatial structure. Or it can be used to prepare materials with special optical, electrical or thermal properties, contributing to the development of materials science. In short, 2-fluoro-5- (trifluoromethyl) phenylacetonitrile has shown important application value in many fields such as medicine, pesticides and materials science due to its unique structure, providing a key foundation for technological innovation and development in various fields.
What are the physical properties of Benzeneacetonitrile, 2-Fluoro-5- (Trifluoromethyl) -?
2-Fluoro-5- (trifluoromethyl) phenylacetonitrile, its physical properties are as follows:
This substance may be a colorless to light yellow liquid at room temperature. It appears to have a certain fluidity, like a clear stream, flickering under light. Its boiling point is within a certain range of values, and varies due to factors such as the ambient air pressure. Just as the boiling point of water varies from altitude to altitude, the boiling point of this compound follows a similar principle. When the external air pressure is close to the standard atmospheric pressure, its boiling point is in a specific range. When boiling, the liquid will turn into steam and rise up like a cloud. The melting point of
is also an important physical property. At this temperature, the substance converts from a solid state to a liquid state, just like melting ice and snow. The melting point of the compound is fixed, as if the seasons change with their laws. This temperature becomes the boundary point between the solid state and the liquid state of the substance. In terms of density,
has its unique value compared with common organic solvents. When mixed with water, due to the difference in density, there will be stratification phenomenon, just like oil and water are incompatible and stratified obviously.
Solubility is also the key. In organic solvents such as ethanol and ether, it can be better dissolved, just like salt dissolves in water and melts into one. However, it has poor solubility in water. Due to its molecular structure characteristics, it interacts weakly with water molecules, so it is difficult to dissolve in water.
In addition, it also has a certain degree of volatility, which will evaporate slowly in the air, such as the fragrance of flowers floating in the air, its smell may be irritating, close to the fine smell, can sense special breath, and this breath may cause irritation to the human respiratory tract, eyes and other parts, so careful protection is required when touching.
Is Benzeneacetonitrile, 2-Fluoro-5- (Trifluoromethyl) - chemically stable?
2-Fluoro-5- (trifluoromethyl) phenylacetonitrile, this physical property is still stable. In its molecular structure, the benzene ring is connected to the cyanyl group by methylene, and the fluorine atom and trifluoromethyl are also connected to the benzene ring. This structure endows it with specific chemical activity and stability.
From the perspective of electronic effect, both fluorine atoms and trifluoromethyl have strong electron-withdrawing properties. Fluorine atoms have high electronegativity, and the electron cloud density of the benzene ring is reduced by induction effect. In trifluoromethyl, the synergistic effect of three fluorine atoms makes the electron-withdrawing effect more significant. As a result, the electron cloud of the benzene ring is biased towards the electron-withdrawing group, which decreases the electrophilic activity of the benzene ring, but
As a strong electron-absorbing group, the cyanyl group can enhance the acidity of the α-hydrogen atom, and under specific conditions, it is prone to related reactions. However, the conjugated system of the benzene ring also plays a stabilizing role in the overall structure. Due to the conjugation effect, the electron cloud is delocalized on the benzene ring, the molecular energy is reduced, and the stability is enhanced.
Under normal environmental conditions, if there is no specific reagent and reaction conditions, 2-fluoro-5- (trifluoromethyl) phenylacetonitrile can maintain a relatively stable state. However, when exposed to strong oxidizing agents, reducing agents or specific acid-base environments, corresponding chemical reactions will occur according to their structural characteristics. If under strong alkaline conditions, the cyano group may be hydrolyzed; in case of active nucleophiles, the hydrogen atom on the benzene ring or methylene may be replaced. In general, the stability of its chemical properties is a relative concept, depending on the specific environment and reaction conditions.
What are the synthesis methods of Benzeneacetonitrile, 2-Fluoro-5- (Trifluoromethyl) -?
The synthesis method of phenylacetonitrile, 2-fluoro-5- (trifluoromethyl) - is as follows:
can be prepared by reacting the corresponding halogenated aromatics with cyanide reagents. First, select a suitable 2-fluoro-5- (trifluoromethyl) halobenzene. If the halogen atom is bromine, 2-fluoro-5- (trifluoromethyl) bromobenzene can be reacted with cuprous cyanide in a suitable organic solvent, such as N, N-dimethylformamide (DMF), heated and stirred. This reaction needs to be protected by inert gas, and the temperature is controlled within a certain range, such as about 100-120 ° C, and the reaction takes several hours. The reaction mechanism is nucleophilic substitution. The cyano anion attacks the carbon position of the halogen atom on the halobenzene, and the halogen atom leaves, thereby forming the target product phenylacetonitrile, 2-fluoro-5- (trifluoromethyl) -.
Or with 2-fluoro-5- (trifluoromethyl) benzoic acid as the starting material, it is first converted into the corresponding acid chloride, which can react with thionyl chloride under the condition of heating and reflux to form 2-fluoro-5- (trifluoromethyl) benzoyl chloride. Next, the acid chloride is reacted with ammonia to form an amide, and then a dehydrating agent, such as phosphorus pentoxide, is used to dehydrate the amide under heating conditions to form a nitrile to obtain the target product.
The Grignard reagent method can also be used to first react 2-fluoro-5- (trifluoromethyl) halobenzene with magnesium in anhydrous ether to form a Grignard reagent, and then introduce hydrogen cyanide gas or add cyanide reagents such as potassium cyanide to obtain the product through further treatment. However, this method requires strict anhydrous and anaerobic operation, and the conditions are relatively harsh. All kinds of synthesis methods have their own advantages and disadvantages, and they need to be selected according to the actual situation, such as the availability of raw materials, the difficulty of reaction conditions, and the high or low yield.
Benzeneacetonitrile, 2-Fluoro-5- (Trifluoromethyl) - What to look out for when storing and transporting
2-Fluoro-5- (trifluoromethyl) benzeneacetonitrile is an organic compound. When storing and transporting, many precautions are required.
In terms of storage, one should choose a cool, dry and well-ventilated place. This is because the compound may be sensitive to heat and humidity, and high temperature and high humidity environments can easily cause it to deteriorate, or even cause dangerous chemical reactions. Second, keep away from fires and heat sources. Because of its flammability, it is likely to be exposed to open flames, hot topics, or there is a risk of combustion and explosion. Third, it should be stored separately from oxidants, acids, and bases, and must not be mixed. Because of the active chemical properties of the compound, contact with the above substances, or react violently, endangering safety. Fourth, the storage container must be well sealed to prevent leakage. Containers of suitable materials can be selected, such as corrosion-resistant glass bottles or specific plastic containers, and the containers should be clearly marked, clearly indicating that the contents are 2-Fluoro-5- (trifluoromethyl) benzeneacetonitrile, and indicate the hazardous characteristics.
In terms of transportation, first of all, the transportation vehicle must meet the relevant standards and requirements for the transportation of hazardous chemicals. Vehicles should be equipped with corresponding fire fighting equipment and leakage emergency treatment equipment to prepare for emergencies. Secondly, during transportation, ensure that the container is stable, avoid collision and vibration, and prevent material leakage due to container damage. In addition, transportation personnel need to be professionally trained to be familiar with the dangerous characteristics of the compound and emergency treatment methods. Transportation routes should also be carefully planned to avoid densely populated areas and environmentally sensitive areas.
In this way, during the storage and transportation of 2 - Fluoro - 5 - (trifluoromethyl) benzeneacetonitrile, strictly follow the above points of attention to effectively ensure the safety of personnel and the environment, and avoid accidents.