4 Hydroxybenzotrifluoride
Fluoride
4-Hydroxybenzotrifluoride
Chemical Formula C7H5F3O
Molar Mass 162.11 g/mol
Appearance Colorless to light yellow liquid
Boiling Point 172 - 174 °C
Melting Point 1 - 3 °C
Density 1.32 g/cm³
Solubility In Water Insoluble
Flash Point 64 °C
Vapor Pressure 1.0 mmHg (25 °C)
Refractive Index 1.454 - 1.456 (20 °C)
FAQ

What are the main uses of 4-Hydroxybenzotrifluoride?

4-Hydroxytrifluorotoluene is a crucial raw material in organic synthesis and has a wide range of uses in many fields.

First, in the field of medicine, its role is remarkable. The unique chemical structure of 4-Hydroxytrifluorotoluene makes it an indispensable key intermediate for the synthesis of many drugs. For example, in the preparation of some cardiovascular disease treatments, using this as a starting material, through a series of fine chemical reactions, molecular structures with specific pharmacological activities can be constructed, which can then play a role in regulating cardiovascular function. Or in the development and synthesis of some anti-tumor drugs, 4-hydroxytrifluorotoluene also plays an important role. By ingeniously reacting with other chemicals, it can shape active ingredients that can precisely act on tumor cells and inhibit their growth and spread.

Second, in the field of pesticides, its importance cannot be underestimated. With its own chemical properties, 4-hydroxytrifluorotoluene can be used as a key component in the synthesis of high-efficiency and low-toxicity pesticides. For example, when synthesizing new pesticides, the molecules built on this basis have high selectivity and high-efficiency killing ability for specific pests, while having a small impact on the environment and non-target organisms, which is in line with the modern green pesticide development concept. In the synthesis of herbicides, 4-hydroxytrifluorotoluene can also be used to prepare products that have good weed control effects and are safe for crops, effectively improving the yield and quality of crops.

Third, in the field of materials science, 4-hydroxytrifluorotoluene also has unique applications. In the synthesis of high-performance polymer materials, this substance can be introduced to improve the properties of polymers. For example, its participation in copolymerization reactions can give polymers better heat resistance, chemical corrosion resistance and mechanical properties. In this way, the prepared polymer materials can be widely used in aerospace, automotive manufacturing and other industries that require strict material properties, providing strong support for the development of related fields.

In conclusion, 4-hydroxytrifluorotoluene has become a key compound in the field of organic synthetic chemistry due to its diverse and important uses in medicine, pesticides, and materials science.

What are the physical properties of 4-Hydroxybenzotrifluoride?

4-Hydroxytrifluorotoluene, its physical properties are described as follows:

This substance is mostly white to light yellow crystalline powder at room temperature, and it has a certain regular shape. Its melting point is quite important, about 58-62 ° C. When the temperature rises to the melting point, the substance gradually melts from a solid state to a liquid state.

When talking about the boiling point, under specific pressure conditions, it can reach about 229-231 ° C. At this temperature, the thermal motion of molecules intensifies, and the substance transitions from a liquid state to a gaseous state.

Its density is also a key physical property, about 1.409 (g/cm ³), reflecting its mass per unit volume.

In terms of solubility, 4-hydroxytrifluorotoluene is slightly soluble in water, because water is a polar solvent, and the polarity of the molecular structure of this substance is not highly matched with water, resulting in weak interaction between the two. However, it is soluble in organic solvents such as ethanol, ether, acetone, etc. The molecular structure of organic solvents such as ethanol is similar to that of 4-hydroxytrifluorotoluene, and according to the principle of "similar compatibility", the two are better miscible.

In addition, 4-hydroxytrifluorotoluene has a certain volatility. Although it evaporates more slowly than some low-boiling organic solvents, under appropriate conditions, its molecules will also escape from the solid or liquid surface to the gas phase. And because of its fluorine-containing atoms, in infrared spectroscopy and other characterizations, there will be characteristic absorption peaks at specific wavenumbers, which is an important basis for identification. These physical properties have a great impact on their applications in chemical and pharmaceutical fields, or are related to separation and purification, or the setting of related reaction conditions.

What is the chemistry of 4-Hydroxybenzotrifluoride?

4-Hydroxytrifluorotoluene is an important compound in organic chemistry. Its unique properties allow me to elaborate.

In this compound, the hydroxyl group and the trifluoromethyl group coexist on a phenyl ring. The hydroxyl group is active and has a certain nucleophilicity. Because its oxygen atom has lone pair electrons, it can participate in many nucleophilic reactions. In organic synthesis, it can be substituted with halogenated hydrocarbons to form corresponding ether compounds. And the hydroxyl group can form hydrogen bonds, which has a great influence on its physical properties. Due to the hydrogen bond, the boiling point of 4-hydroxy trifluorotoluene is higher than that of similar compounds without hydroxyl groups, and the intermolecular force is stronger.

The introduction of trifluoromethyl gives the compound many special properties. Trifluoromethyl has strong electronegativity, which greatly increases the polarity of the molecule. Due to its strong electron-absorbing effect, the electron cloud density of the benzene ring is reduced, and the electrophilic substitution reaction activity on the benzene ring is changed. Compared with ordinary alkyl-substituted benzene derivatives, the electrophilic substitution reaction of 4-hydroxytrifluorotoluene is more inclined to meta-substitution, because the density of the adjacent and para-position electron clouds decreases more. At the same time, the existence of trifluoromethyl improves the chemical stability and thermal stability of the compound, and because of its fluorine content, the compound has certain biological activity and fat solubility, which has great potential for application in medicine, pesticides and other fields.

4-Hydroxytrifluorotoluene The properties of hydroxyl and trifluoromethyl affect each other, and it has important uses in many fields such as organic synthesis, materials science, pharmaceutical and pesticide research and development. Its unique chemical properties lay the foundation for research and application in various fields.

What are 4-Hydroxybenzotrifluoride synthesis methods?

There are many ways to synthesize 4-hydroxy trifluorotoluene.

First, p-cresol is used as the starting material. The transformation of methyl to trifluoromethyl can be realized by the reaction of p-cresol with fluorine-containing reagents. Specifically, the reaction of p-cresol with halogenated reagents first protects the hydroxyl group, and then reacts with trifluoromethylating reagents under suitable conditions to convert the methyl group into trifluoromethyl, and then recovers the hydroxyl group through the deprotection step to obtain 4-hydroxy trifluorotoluene. In this process, the choice of halogenated reagents, the reaction temperature and time, and the activity of trifluoromethylating reagents all have a great impact on the reaction process and product yield.

Second, p-fluorobenzoic acid is used as the raw material. p-Fluorobenzoic acid is first esterified, the carboxyl group is converted into an ester group, and then it interacts with a reducing agent to reduce the ester group to an alcohol, and then a halogenate is obtained by halogenation reaction, and then trifluoromethyl is introduced by reaction with a trifluoromethylating agent. Finally, through hydrolysis reaction, the target product 4-hydroxytrifluorotoluene can be obtained. In this route, the conditions of esterification reaction, the amount and type of reducing agent, and the selectivity of halogenation and trifluoromethylation reactions need to be carefully controlled.

Third, p-hydroxybenzaldehyde is used as the starting material. p-Hydroxybenzaldehyde is first reacted with halogenated reagents to form halogenated aldehyde, and then reacted with trifluoromethylating reagents to convert the aldehyde group into trifluoromethyl, and then the reduction reaction is carried out to obtain 4-hydroxy trifluorotoluene. In this synthesis method, the check point selectivity of halogenation reaction, the reactivity of trifluoromethylating reagents, and the optimization of reduction reaction conditions are all key points.

Different synthesis methods have advantages and disadvantages, and the appropriate synthesis path should be carefully selected according to the actual situation, such as the availability of raw materials, the difficulty of controlling the reaction conditions, and the purity and yield requirements of the product.

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

The price range of 4-hydroxytrifluorotoluene in the market is difficult to determine. Its price is influenced by various factors, such as the price of raw materials, supply and demand conditions, production techniques and market changes.

In the past, if the price of raw materials was high, the price of this product would also be high; if the price of raw materials fell, its price might drop. And the market needs to be prosperous but the supply is small, the price must rise; if the supply exceeds the demand, the price will be self-suppressing.

And the production technology is refined and the cost drops, and the price may also drop. If at some time, due to the high yield of raw materials, the cost of this product will decrease, and the price of this product will drop slightly in the market. However, at other times, the market needs to increase, but the production is not sufficient, the price will rise.

According to past examples, the price may range from tens of thousands to hundreds of thousands of yuan per ton. However, this is only an approximate estimate, and the actual price should be subject to the current market conditions. For the exact price, you can consult chemical raw material suppliers, traders, or refer to the price information of professional chemical information platforms to get real-time and accurate prices.