4 Cyanobenzotrifluoride
Fluoride
4-Cyanobenzotrifluoride
Chemical Formula C8H4F3N
Molar Mass 171.12 g/mol
Appearance Colorless to light yellow liquid
Boiling Point 205 - 207 °C
Melting Point -26 °C
Density 1.32 g/cm³
Flash Point 83 °C
Solubility In Water Insoluble
Vapor Pressure Low
Odor Characteristic aromatic odor
FAQ

What are the main uses of 4-Cyanobenzotrifluoride?

4-Cyanotrifluorotoluene is widely used. In the field of organic synthesis, this is a key intermediary. It can be used to prepare a variety of pharmaceutical, pesticide and dye compounds.

In pharmaceutical preparation, 4-cyanotrifluorotoluene can participate in the construction of molecular structures with specific pharmacological activities through specific reaction pathways. For example, or through the reaction of its cyanyl group with other reagents, the required functional groups can be introduced to create drugs for the treatment of specific diseases.

In the field of pesticides, using this as a starting material can synthesize pesticides with high insecticidal, bactericidal or herbicidal properties. By modifying and derivatizing its structure, the prepared pesticide has high selectivity and activity to target organisms, and can reduce the impact on non-target organisms, which meets the development needs of modern green pesticides.

In the dye industry, 4-cyanotrifluorotoluene can be used as an important component in the synthesis of new dyes. Because of its functional groups such as trifluoromethyl and cyano, it can endow dyes with unique characteristics such as color, stability and light resistance, making the dyes widely used in textile, printing and other industries.

Furthermore, 4-cyanotrifluorotoluene may also have potential applications in other fields such as materials science due to its special chemical properties. It can participate in the preparation of polymer materials with special properties, such as fluoropolymers, etc. Such materials may have excellent chemical corrosion resistance, low surface energy and good thermal stability, etc., and have great application prospects in high-end fields such as aerospace and electronics.

What are the physical properties of 4-Cyanobenzotrifluoride?

4-Cyanotrifluorotoluene is also an organic compound. Its physical properties are worth a detailed investigation.

Looking at its properties, at room temperature, it is mostly colorless to light yellow liquid, with a clear and transparent texture. Its smell has certain particularity, but it is not a strong and pungent genus, and ordinary people can feel its specific smell.

When it comes to the boiling point, it is about 203 degrees. At this temperature, the substance gradually converts from liquid to gaseous. The melting point is roughly around minus 17 degrees, and the temperature drops to that, that is, it solidifies from liquid to solid.

Its density is about 1.32 grams per cubic centimeter, which is heavier than water. If it is placed in a container with water, it will sink to the bottom of the water.

In terms of solubility, it is extremely difficult to dissolve in water, and it is difficult to be affectionate with water molecules due to the characteristics of its molecular structure. However, organic solvents such as ethanol, ether, and acetone can be well miscible and can be mixed with them into a uniform solution.

In addition, the vapor pressure of 4-cyanotrifluorotoluene also has characteristics. Within a certain temperature range, the vapor pressure gradually increases with the increase of temperature, which is related to its equilibrium between the gas phase and the liquid phase, and also affects its volatilization in practical application scenarios. And because of its fluorine, cyanyl and other special groups, its physical properties are unique. Applications in chemical, pharmaceutical and other fields depend on such physical properties.

What is the chemistry of 4-Cyanobenzotrifluoride?

4-Cyanotrifluorotoluene has unique chemical properties and is very interesting. This substance is colorless to light yellow liquid, stable at room temperature and pressure, but flammable when exposed to open flames and hot topics.

From the structural point of view, it contains cyanide (-CN) and trifluoromethyl (-CF), which give it special chemical activity. Cyanide groups have strong electronegativity, which enhances the polarity of molecules and affects their physical and chemical properties. Under specific conditions, cyanide groups can undergo many reactions, such as hydrolysis to form carboxyl groups, or nucleophilic substitution reactions with nucleophiles to form compounds containing nitrogen heterocycles, which open up various paths for organic synthesis.

Trifluoromethyl also has a significant effect. Its strong electron absorption reduces the electron cloud density of the benzene ring and changes the electrophilic substitution activity on the benzene ring. Compared with ordinary alkyl-substituted benzene, the electrophilic substitution of 4-cyanotrifluorotoluene is more inclined to meta-substitution because it can stabilize the reaction intermediate. And the presence of trifluoromethyl increases the molecular fat solubility, which has a great impact on its solubility and partition coefficient in organic solvents.

4-cyanotrifluorotoluene has a wide range of uses in the fields of medicine, pesticides, materials, etc. In pharmaceutical synthesis, as a key intermediate, it can construct structures of biologically active compounds. In the field of pesticides, due to its special chemical structure and properties, high-efficiency and low-toxicity pesticides can be prepared. In the field of materials science, it is used to synthesize fluorine-containing polymer materials to improve the chemical stability, thermal stability and weather resistance of materials.

In short, 4-cyanotrifluorotoluene has a unique chemical structure, exhibits diverse chemical properties, and has broad application prospects in many fields. It is an important compound for research and application in the field of organic chemistry.

What are the preparation methods of 4-Cyanobenzotrifluoride?

4-Cyanotrifluorotoluene, also known as p-cyanotrifluorotoluene, is prepared as follows:
1. ** Using p-methylbenzoic acid as raw material **:
- The carboxyl group can be converted into an acyl chloride by first reacting p-methylbenzoic acid with chlorinated reagents such as phosphorus pentachloride or thionyl chloride. This reaction needs to be carried out at a suitable temperature and protected by inert gas. For example, in a dry dichloromethane solvent, stirring at room temperature for several hours can produce p-methylbenzoyl chloride.
- Next, p-methylbenzoyl chloride reacts with hydrogen fluoride in the presence of a catalyst to achieve the substitution of chlorine atoms by fluorine atoms to form p-trifluoromethylbenzoyl chloride. The reaction conditions in this step are more demanding, requiring a specific catalyst and a certain pressure and temperature. Usually in an autoclave, the reaction is at a certain temperature (such as 80-120 ° C) for a period of time.
- Finally, p-trifluoromethylbenzoyl chloride reacts with cyanide reagents (such as sodium cyanide, potassium cyanide, etc.) in a suitable solvent (such as N, N-dimethylformamide) to obtain 4-cyanotrifluorotoluene. This reaction requires controlling the reaction temperature and time to avoid side reactions.
2. ** Using p-chlorotrifluorotoluene as raw material **:
- p-chlorotrifluorotoluene and cyanide cyanide and other cyanide reagents react in an organic solvent (such as dimethyl sulfoxide) at high temperature (such as 150 - 200 ° C) and under the protection of inert gas. The cyano group will replace the chlorine atom to generate 4-cyanotrifluorotoluene. In this reaction, the amount of cuprous cyanide and the reaction time need to be precisely controlled to ensure a high yield.
3. ** Using p-bromotrifluorotoluene as raw material **:
- Cyanylation reaction catalyzed by palladium, with p-bromotrifluorotoluene as the starting material, and cyanylation reagents such as zinc cyanide or potassium cyanide in the presence of suitable ligands (such as bistriphenylphosphine palladium dichloride) and bases (such as potassium carbonate), in an organic solvent (such as a mixed solvent of toluene and water). This reaction condition is relatively mild, and the target product 4-cyanotrifluorotoluene can be obtained by refluxing at a certain temperature (such as 80-100 ° C) for several hours. This method has high selectivity and good yield, but the catalyst cost is higher.

What is the price range of 4-Cyanobenzotrifluoride in the market?

4-Cyanotrifluorotoluene is on the market, and its price range varies from time to time, as well as with quality and quantity, and the supply and demand of the market. In the past, looking at the state of the market, if the quantity is small and the demand is large, the price will be high; if the quantity is abundant and the demand is small, the price will be lower.

If you try to sell it by merchants, the price of small quantities and high quality can reach tens of gold per gram. Because of its difficulty in preparation, it requires exquisite techniques and expensive materials, so the cost is high, and the price will follow. If the purchase quantity is quite large, in kilograms, the price may be slightly reduced, ranging from hundreds of gold to thousands of gold per kilogram.

However, the market situation is changeable, and the price of raw materials and the progress of technology also affect their price. If the production of raw materials suddenly increases, the price will drop; if new technologies are introduced, the production is easy, and the price will also fall. And different places have different prices. In prosperous cities, the logistics is convenient, the supply and demand are clear, and the price may be stable; in remote places, the transportation is difficult, and the price may be high.

Therefore, if you want to know the confirmed price of 4-cyanotrifluorotoluene, you must check the market in real time, consult the supplier, compare the price, measure the quality and quantity, and then know the approximate price.