Chemical Formula | C9H5F4N |
Molecular Weight | 203.14 |
Appearance | Colorless to light yellow liquid |
Boiling Point | 114 - 116°C (12 mmHg) |
Melting Point | N/A |
Density | 1.31 g/cm³ |
Solubility | Insoluble in water, soluble in organic solvents like ethanol, ether |
Vapor Pressure | N/A |
Flash Point | 94°C |
Refractive Index | 1.454 - 1.456 |
Chemical Formula | C9H5F4N |
Molecular Weight | 203.14 |
Appearance | Typically a colorless to pale yellow liquid |
Boiling Point | Approximately 210 - 212 °C |
Density | Around 1.3 - 1.4 g/cm³ |
Solubility | Soluble in organic solvents like dichloromethane, chloroform |
Vapor Pressure | Low vapor pressure at room temperature |
Flash Point | Caution, flammable, flash point in the range of 80 - 90 °C |
Stability | Stable under normal conditions, but reactive to strong oxidizing agents |
What are the main uses of 3-Trifluoromethyl-4-fluorobenzylcyanide?
3-Trifluoromethyl-4-fluorobenzyl cyanide, an organic compound, is widely used in chemical and pharmaceutical fields.
In the chemical industry, it is often used as a key intermediate in organic synthesis. Due to the special physical and chemical properties of trifluoromethyl and fluorine atoms contained in the molecule, it can be used to prepare many fluorine-containing fine chemicals. Through specific chemical reactions, it can be converted into organic compounds with more complex structures, laying the foundation for the synthesis of new materials, pesticides and dyes.
In the field of medicine, due to its unique chemical structure, it has potential biological activities. or participate in the construction of drug molecules to help develop new drugs. Fluorinated organic compounds often exhibit unique pharmacological properties in drugs, such as enhancing drug fat solubility, which is conducive to drug penetration through biofilms and improving bioavailability; it can also enhance the ability of drugs to bind to targets and enhance drug efficacy. Therefore, 3-trifluoromethyl-4-fluorobenzyl cyanide may play an important role in the development of innovative drugs, providing new opportunities for conquering difficult diseases.
With its special structure, this compound occupies an important position in the two fields of chemical synthesis and pharmaceutical research and development, and promotes the continuous development of related industries.
What are 3-Trifluoromethyl-4-fluorobenzylcyanide synthesis methods?
The synthesis method of 3-trifluoromethyl-4-fluorobenzyl cyanide can be found in various ways. It is described in the text of "Tiangong Kaiwu".
One of them can be obtained by reacting 3-trifluoromethyl-4-fluorobenzyl halide with cyanide reagent. Among them, halides such as chlorine and bromide can be used. The 3-trifluoromethyl-4-fluorobenzyl halide is placed in a suitable reaction vessel, supplemented with an appropriate amount of cyanide reagents such as sodium cyanide or potassium cyanide, in an appropriate solvent, such as dimethyl sulfoxide (DMSO), N, N-dimethylformamide (DMF), heated and stirred to maintain a certain temperature and reaction time. Due to the high activity of halogen atoms, cyano negative ions can undergo nucleophilic substitution reaction with them, and then the target product 3-trifluoromethyl-4-fluorobenzyl cyanide is obtained. This process requires attention to the control of reaction temperature. If it is too high, side reactions will increase, and if it is too low, the reaction rate will be slow.
Second, 3-trifluoromethyl-4-fluorobenzoic acid can also be used as a starting material. First, it is converted into the corresponding acid chloride, which can be achieved by reagents such as thionyl chloride. The obtained acid chloride reacts with cyanide reagents, such as cuprous cyanide, and then reacts with nucleophilic substitution to generate 3-trifluoromethyl-4-fluorobenzyl cyanide. This path requires attention to the conditions of acid chloride preparation, such as reaction temperature and reagent dosage, to avoid side reactions such as hydrolysis of acid chloride, which affect the subsequent reaction process and product purity.
Third, 3-trifluoromethyl-4-fluorobenzaldehyde is used as the starting material, and the corresponding oxime is generated by the oximization reaction, and then treated with a dehydrating agent, such as phosphorus pentoxide, dehydration is converted into 3-trifluoromethyl-4-fluorobenzyl cyanide. In this process, the choice of oximization reaction conditions is quite critical, including the reaction solvent and the proportion of reactants, and the dehydration step also needs to pay attention to the amount of dehydrating agent and the reaction time to prevent overreaction or incomplete reaction.
Each of these synthesis methods has its own advantages and disadvantages. It is necessary to consider factors such as the availability of raw materials, the difficulty of reaction conditions, and the purity and yield of the product according to actual needs, and choose carefully to achieve the best synthesis effect.
What are the physical properties of 3-Trifluoromethyl-4-fluorobenzylcyanide?
3-Trifluoromethyl-4-fluorobenzyl cyanide is a kind of organic compound. Looking at its physical properties, it is mostly liquid at room temperature, and has a specific color and smell, but such properties are often changed due to the presence and amount of impurities.
The boiling point of this compound is also one of its important physical properties. The boiling point is related to its phase transition under different temperature conditions. Generally speaking, in a specific pressure environment, when the corresponding boiling point temperature is reached, the compound will gradually change from liquid to gaseous state. The melting point cannot be ignored either, which is the critical temperature index for the mutual transformation of solid and liquid states.
As for density, it reflects the mass per unit volume of the compound. By measuring the density, not only can its physical properties be more accurately understood, but also it is of great significance for practical applications, such as in the analysis and operation of mixed systems.
In terms of solubility, 3-trifluoromethyl-4-fluorobenzyl cyanide behaves differently in different solvents. In some organic solvents, such as common ethanol, ether, etc., or show good solubility and can be miscible with them; in polar solvents such as water, its solubility may be quite limited, which is determined by the polar characteristics of its molecular structure.
In addition, the volatility of this compound is also a physical property worthy of attention. The level of volatility directly affects its diffusion rate and existence form in the environment, and has an important impact on the safety and stability of related experimental operations and practical application scenarios.
From the above, it can be seen that the physical properties of 3-trifluoromethyl-4-fluorobenzyl cyanide are rich and diverse, and they are interrelated, and are indispensable factors in many fields such as organic synthesis and chemical production.
3-Trifluoromethyl-4-fluorobenzylcyanide What are the precautions during storage and transportation?
3-Trifluoromethyl-4-fluorobenzyl cyanide is a commonly used chemical in the field of organic synthesis. During storage and transportation, many key matters need to be paid attention to to to ensure its stability and safety.
The first thing to pay attention to is the storage temperature and environment. This chemical should be stored in a cool, dry and well-ventilated place. If the temperature is too high, it may cause its decomposition to accelerate, or even cause dangerous reactions. Humidity also needs to be strictly controlled. Because it is sensitive to water vapor, damp or hydrolysis and other adverse reactions, the warehouse should be kept dry to avoid rain erosion.
Second, about packaging materials. Appropriate packaging materials must be selected to prevent leakage. Common packaging such as glass bottles, plastic drums, etc., but it is necessary to ensure that the material has no chemical reaction with the chemical. If glass bottle packaging is used, it should be careful to prevent it from breaking; plastic drums should consider their corrosion resistance to ensure that the packaging is intact during storage and transportation.
Furthermore, vibration and collision during transportation cannot be ignored. Due to its relatively active nature, excessive vibration or collision may trigger unstable factors and cause accidents. Therefore, the transportation vehicle needs to run smoothly to reduce bumps, and the goods should be fixed to avoid shaking in the compartment.
In addition, storage and transportation places should be kept away from fire sources, heat sources and oxidants. 3-Trifluoromethyl-4-fluorobenzyl cyanide is flammable to a certain extent. In case of open flames, hot topics or combustion and explosion; in contact with oxidants, violent reactions may also occur. The place should be equipped with complete fire protection facilities and leakage emergency treatment equipment to respond quickly in emergencies.
Finally, personnel engaged in storage and transportation must be professionally trained and familiar with the characteristics and safe operation procedures of the chemical. When operating, it is necessary to strictly abide by relevant regulations and wear appropriate protective equipment, such as protective gloves, protective glasses, etc., to prevent direct contact with the human body and ensure personal safety.
3-Trifluoromethyl-4-fluorobenzylcyanide impact on the environment and human health
3-Trifluoromethyl-4-fluorobenzyl cyanide is one of the organic compounds. Its impact on the environment and human health cannot be underestimated.
At one end of the environment, if this compound is released into nature, it may be difficult to degrade, resulting in long-term retention in soil and water bodies. It may disturb the soil microbial community, imbalance the soil ecology, and affect plant growth. If it enters the water body, it may endanger aquatic organisms. Such as fish, shellfish, etc., or due to the impairment of physiological functions, reproduction and development, and even cause population impairment. And it may be transmitted and enriched through the food chain, harming higher organisms.
As for personal health, if people breathe, skin contact or accidentally ingest products containing this compound, there is a risk. It may irritate the skin and eyes, causing redness, swelling and pain. Inhalation, or damage the respiratory tract, causing coughing, asthma, living in this environment for a long time, or increasing respiratory diseases. Oral ingestion, or damage the digestive system, causing nausea, vomiting, abdominal pain. In particular, this compound may have potential carcinogenicity, teratogenicity and mutagenicity. In the long run, it is far-reaching harm to human genes and reproductive system. Therefore, for 3-trifluoromethyl-4-fluorobenzyl cyanide, it should be handled with caution and strictly controlled in all aspects of production and use to reduce its harm to the environment and human health.