Chemical Formula | C8H5ClFN |
Molar Mass | 171.583 g/mol |
Appearance | Solid (usually) |
Cas Number | 94489-79-9 |
Solubility In Water | Low (organic compound with non - polar groups) |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform |
Chemical Formula | C8H5ClFN |
Molar Mass | 169.58 g/mol |
Appearance | Colorless to light yellow liquid |
Boiling Point | 230 - 232 °C |
Density | 1.254 g/cm³ |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents like ethanol, acetone |
Vapor Pressure | Low |
Flash Point | 100 °C |
Stability | Stable under normal conditions |
What are the main uses of 4-chloro-3-fluorobenzyl cyanide?
4-Chloro-3-fluorobenzyl cyanide has a wide range of uses. In the field of organic synthesis, it is a key intermediate. The chlorine, fluorine and cyanyl groups in the molecule have high reactivity and can be derived from many organic compounds through various chemical reactions.
First, it can be used to prepare drug molecules with specific structures. In medicinal chemistry, it is often necessary to introduce structural fragments containing chlorine, fluorine and cyanyl to adjust the activity, metabolic characteristics and bioavailability of drugs. 4-chloro-3-fluorobenzyl cyanide can be embedded in the molecular structure of drugs through reactions such as nucleophilic substitution and addition, providing key starting materials for innovative drug development.
Second, in the field of materials science, it also has outstanding performance. Its participation in the reaction may generate polymer materials with special properties. For example, by polymerizing with monomers containing specific functional groups, the material is endowed with properties such as chemical resistance and excellent optical properties, which is very useful in the manufacture of high-end materials, such as electronic device packaging materials, optical fiber coating materials, etc.
Furthermore, in the field of fine chemical synthesis, it is an important precursor for the synthesis of special fragrances, dyes, etc. With the help of chemical modification of chlorine, fluorine, and cyanyl groups, fine chemicals with novel structures and unique properties can be created to meet the market demand for high-quality and differentiated products. Therefore, 4-chloro-3-fluorobenzyl cyanide, with its unique structure and reactivity, plays an indispensable role in many fields such as organic synthesis, medicine, materials, and fine chemicals, and is of great significance to the development of related industries.
4-chloro-3-fluorobenzyl the physical properties of cyanide
4-Chloro-3-fluorobenzyl cyanide is a kind of organic compound. This substance has specific physical properties, which are described in detail by you.
Looking at its appearance, it often takes the form of a colorless to light yellow liquid, and its properties are stable under normal temperature and pressure. Its visual color and shape are one of the important characteristics to distinguish this substance.
Talking about the boiling point, the boiling point of 4-chloro-3-fluorobenzyl cyanide is within a certain range due to factors such as intermolecular forces. The value of the boiling point plays a key role in its phase transition under different temperature conditions. When the external temperature reaches the boiling point, the substance changes from liquid to gaseous state. This property is relevant to many processes such as separation and purification in chemical production.
Melting point is also an important physical property. The level of melting point depends on the compactness and interaction of the molecular structure. The melting point of 4-chloro-3-fluorobenzyl cyanide determines its state in a low temperature environment. If the temperature is lower than the melting point, the substance will solidify into a solid state.
In addition, solubility is also a physical property that cannot be ignored. It exhibits a certain solubility in organic solvents such as ethanol and ether. This property is of great significance for the mixing of reactants and the control of the reaction process in organic synthesis reactions. Due to the different polarities and molecular structures of different organic solvents, 4-chloro-3-fluorobenzyl cyanide interacts with them differently, resulting in different degrees of solubility.
Furthermore, density is also one of the physical properties of 4-chloro-3-fluorobenzyl cyanide. Its density is higher or lower than that of water, which is crucial when operations such as liquid-liquid separation are involved. Through the difference in density, specific methods can be used to achieve effective separation from other liquids.
In summary, the physical properties of 4-chloro-3-fluorobenzyl cyanide, such as appearance, boiling point, melting point, solubility, density, etc., are related to each other and together determine its application and treatment in the chemical industry, organic synthesis, etc.
4-chloro-3-fluorobenzyl chemical properties of cyanide
4-Chloro-3-fluorobenzyl cyanide is a kind of organic compound. Its chemical properties are unique and valuable for investigation.
In terms of its physical properties, it is mostly liquid or solid at room temperature and pressure. Its appearance may be a colorless to light yellow liquid or a crystalline solid, depending on the specific environmental conditions. Its melting and boiling point is determined by factors such as intermolecular forces, and the strength of intermolecular forces is closely related to the structure of the molecule. Due to the presence of chlorine, fluorine and other halogen atoms and cyanide groups in the molecule, the intermolecular forces are more complex, which in turn affects its melting and boiling point.
In terms of chemical properties, the chlorine atoms in 4-chloro-3-fluorobenzyl cyanides are quite active. In many nucleophilic substitution reactions, chlorine atoms are easily replaced by nucleophilic reagents. For example, when met with sodium alcohol, the alkoxy group will replace the chlorine atom to form the corresponding ether compound. The mechanism of this reaction is that the nucleophilic test agent attacks the carbon atom connected to the chlorine atom, and the chloride ion is separated as the leaving group.
Furthermore, the cyanyl group also shows unique chemical activity. Cyanyl groups can be hydrolyzed to form carboxyl groups. Under acidic or basic conditions, hydrolysis reactions can occur. Under acidic conditions, the cyanyl group is protonated first, and then water molecules attack, and after a series of intermediate steps, carboxylic acids are finally formed. Under basic conditions, hydroxide ions attack the cyanyl group, and carboxylic acids are also formed. After acidification, carboxylic acids can be obtained.
In addition, although the fluorine atoms in the molecule are relatively stable, they may also participate in the reaction under specific strong nucleophiles or extreme reaction conditions, but these reaction conditions are quite harsh.
4-chloro-3-fluorobenzyl cyanide is widely used in the field of organic synthesis due to its chemical properties. It can be used as an important intermediate for the preparation of many bioactive compounds, drugs and functional materials.
What is the production method of 4-chloro-3-fluorobenzyl cyanide?
The preparation of 4-chloro-3-fluorobenzyl cyanide is a key matter in chemical preparation. In the past, there were several methods commonly used to prepare this compound.
First, the nucleophilic substitution reaction can be carried out from 4-chloro-3-fluorobenzyl halide and cyanide salts under suitable solvents and reaction conditions. For example, 4-chloro-3-fluorobenzyl chloride is used as a starting material, and it is placed with cyanides such as sodium cyanide or potassium cyanide in polar aprotic solvents such as N, N-dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). Such solvents can effectively dissolve the reactants and are extremely beneficial for the nucleophilic substitution reaction. Under the condition of heating and stirring, the halogen ions leave, and the cyanyl negative ions attack the benzyl carbon, then 4-chloro-3-fluorobenzyl cyanide is formed. In this process, the control of temperature is quite important, and it is generally necessary to control it within a moderate range. If the temperature is too high, side reactions may occur; if the temperature is too low, the reaction rate will be slow and take a long time.
Second, aldose compounds containing 4-chloro-3-fluorophenyl can also be used to react with cyanide reagents. First, the addition reaction of 4-chloro-3-fluorobenzaldehyde with hydrocyanic acid (HCN) occurs to generate the corresponding cyanoalcohol intermediate. This reaction needs to be carried out in the presence of an alkaline catalyst, and the alkaline environment can promote the dissociation of cyanoanions from hydrocyanic acid, and then nucleophilic addition with aldehyde groups. Then, the cyanoalcohol intermediate is dehydrated and other follow-up treatments, and finally 4-chloro-3-fluorobenzyl cyanide can be obtained. However, hydrocyanic acid is highly toxic, and strict protective measures must be taken during operation to ensure the safety of the experimenter.
Furthermore, in terms of organic synthesis strategy, it can also be prepared by constructing benzene rings and introducing chlorine, fluorine and cyanomethyl groups in sequence. The benzene ring structure containing a specific substituent is first constructed, then chlorine and fluorine atoms are introduced at the appropriate position, and finally the cyanyl group is introduced at the benzyl group position through a suitable reaction. This method requires a deep understanding of the reaction mechanism and sequence of organic synthesis in order to precisely control the reaction process and achieve the preparation of the target product. In short, to prepare 4-chloro-3-fluorobenzyl cyanide, it is necessary to weigh the advantages and disadvantages of each method according to the actual situation, and choose the most suitable preparation path.
4-chloro-3-fluorobenzyl cyanide need to pay attention to when storing and transporting
4-Chloro-3-fluorobenzyl cyanide, a highly toxic chemical, must be carefully attended to during storage and transportation.
Bear the brunt, and store in a cool, dry and well-ventilated place. This substance is quite sensitive to heat and can be dangerous when heated, so it must be kept away from fire and heat sources, and must not be exposed to the sun. The warehouse temperature should be strictly controlled within a suitable range to prevent accidents caused by excessive temperature.
Furthermore, its packaging must be tight to ensure that there is no risk of leakage. Because of its highly toxic nature, once leaked, it will not only pollute the environment, but also pose a serious threat to human health. Packaging materials must also be highly resistant to corrosion and can effectively resist the erosion of the substance.
During storage, they should also be separated from oxidizing agents, acids, alkalis and other substances, and must not be mixed. Due to their active chemical properties, contact with these substances is likely to cause severe chemical reactions, resulting in serious consequences such as fire and explosion.
When transporting, it is necessary to choose professional transportation tools and strictly follow relevant transportation regulations. Transportation personnel must undergo professional training and be familiar with the characteristics of the substance and emergency treatment methods. Transportation vehicles should also be equipped with corresponding emergency rescue equipment and protective equipment to prevent accidents.
During loading and unloading, the operation must be gentle, and do not collide, drag, or throw, so as not to damage the packaging and cause material leakage. In the event of a leak, emergency measures should be taken immediately, evacuate the surrounding personnel, seal the scene, and quickly report to the relevant departments for handling.
In short, the storage and transportation of 4-chloro-3-fluorobenzyl cyanide should not be sloppy at all, and must be strictly operated in accordance with regulations to ensure that personnel safety and the environment are not endangered.