3 Chloro 4 Fluorobenzyl Cyanide
Fluorine Difluoride Fluorobenzene Fluorobenzyl Trifluorotoluene
3-Chloro-4-Fluorobenzyl Cyanide
Chemical Formula C8H5ClFN
Molar Mass 171.58 g/mol
Appearance Colorless to light yellow liquid
Boiling Point 254 - 256 °C
Density 1.268 g/cm³
Solubility In Water Insoluble
Solubility In Organic Solvents Soluble in common organic solvents
Flash Point 113 °C
Purity Typically high - purity grades available, e.g., 98%+
Chemical Formula C8H5ClFN
Molar Mass 171.583 g/mol
Appearance Typically a colorless to pale - yellow liquid
Boiling Point Around 236 - 238 °C
Solubility Slightly soluble in water, more soluble in organic solvents like ethanol, acetone
Vapor Pressure Low vapor pressure at room temperature
Stability Stable under normal conditions, but can react with strong oxidizing agents
FAQ

3-Chloro-4-Fluorobenzyl the chemical properties of Cyanide

3-Chloro-4-fluorobenzyl cyanide, this is an organic compound. Its physical properties are mostly liquid at room temperature, but may also be solid, depending on specific conditions. Appearance may be colorless to light yellow liquid or solid, with a special odor, but the odor description is difficult to be exact, because individual olfactory perception is different. Its relative density is greater than that of water, and it is difficult to dissolve in water, but it is easily soluble in common organic solvents, such as ethanol, ether, acetone, etc. Due to the similar principle of miscibility, its molecular structure characteristics make it have good affinity with organic solvents.

When it comes to chemical properties, cyano-CN is an active functional group and is prone to participate in many chemical reactions. For example, the cyanyl group can be hydrolyzed, and under the catalysis of acid or base, it is converted into carboxyl-COOH to generate 3-chloro-4-fluorobenzoic acid. It can also react with reducing agents, and the cyanyl group is reduced to amino-NH ² to obtain the corresponding amine compound. At the same time, the chlorine atom connected to the benzyl group and the fluorine atom also have certain reactivity. The chlorine atom can undergo a nucleophilic substitution reaction and is replaced by other groups under suitable nucleophilic reagents and conditions. Although the fluorine atom is slightly less active than the chlorine atom due to its high electronegativity, it can still participate in the reaction under certain conditions, such as the nucleophilic aromatic substitution reaction.

In addition, this compound is toxic due to its cyanide-containing group. It must be handled with caution and follow safety procedures when using and storing to prevent harm to human health and the environment.

What are the main uses of 3-Chloro-4-Fluorobenzyl Cyanide?

3-Chloro-4-fluorobenzyl cyanide, which is a crucial chemical substance in the field of organic synthesis, has a wide range of uses.

First, in the field of medicinal chemistry, it is often used as a key intermediate. The synthesis path of many drugs depends on its participation. After a series of organic reactions, it can be converted into compounds with specific pharmacological activities. For example, when developing new therapeutic drugs for specific diseases, using 3-chloro-4-fluorobenzyl cyanide as the starting material can ingeniously construct complex drug molecular structures and provide new possibilities for disease treatment.

Second, in the field of pesticide chemistry, it also plays an important role. A variety of highly efficient pesticide ingredients can be derived by chemical modification. Due to its structural characteristics, the synthesized pesticides may have excellent control effects on specific pests or weeds, which helps to improve crop yield and quality, and ensure the smooth progress of agricultural production.

Third, in the field of materials science, it also has potential applications. Through appropriate chemical reactions, it can be introduced into the structure of polymer materials, thus endowing the materials with unique properties, such as improving the stability and corrosion resistance of materials, broadening the application range of materials, and meeting the special needs of different fields for material properties.

Fourth, as an organic synthetic block, chemists can design diverse reactions based on its structure. Through classical organic reactions such as nucleophilic substitution and electrophilic addition, more complex and diverse organic molecular structures are constructed, providing rich raw materials and ideas for basic research in organic chemistry and the creation of new compounds.

What is the production method of 3-Chloro-4-Fluorobenzyl Cyanide?

The preparation method of 3-chloro-4-fluorobenzyl cyanide has been known for a long time. There are many methods, and the main ones are selected as follows.

First, 3-chloro-4-fluorotoluene is used as the starting material. First, the benzyl bromination reaction between 3-chloro-4-fluorotoluene and bromine is carried out under the action of light or initiator. This reaction requires moderate temperature control and the amount of bromine should be precisely prepared to prevent side reactions from occurring. After 3-chloro-4-fluorobenzyl bromide is obtained, it is reacted with sodium cyanide or potassium cyanide in a suitable solvent, such as N, N-dimethylformamide (DMF), at a mild temperature. In this process, the choice of solvent depends on the rate and yield of the reaction, and cyanide is highly toxic, so the operation must be cautious.

Second, 3-chloro-4-fluorobenzaldehyde is used as the starting material. First, 3-chloro-4-fluorobenzaldehyde is converted into the corresponding oxime, which can be reacted with hydroxylamine hydrochloride under alkaline conditions. Subsequently, the oxime is dehydrated under the action of dehydrating agents such as phosphorus pentoxide or acetic anhydride to form 3-chloro-4-fluorobenzyl cyanide. This path step is slightly more complicated, but the reaction conditions of each step are relatively mild and the yield is considerable.

Third, phase transfer catalysis is used. Using 3-chloro-4-fluorobenzyl halide (such as chloride or bromide) and sodium cyanide as reactants, a suitable phase transfer catalyst such as tetrabutylammonium bromide is added to the water-organic two-phase system. The phase transfer catalyst can smoothly transfer the cyanide ions in the aqueous phase to the organic phase, accelerate the reaction process, and the operation is relatively simple, and the equipment requirements are not very strict.

All these production methods have their own advantages and disadvantages. In actual production, according to the availability of raw materials, cost, equipment conditions and product quality requirements and many other factors, the appropriate method should be carefully selected to achieve the purpose of efficient production of 3-chloro-4-fluorobenzyl cyanide.

3-Chloro-4-Fluorobenzyl Cyanide during storage and transportation

3-Chloro-4-fluorobenzyl cyanide is an organic compound. When storing and transporting, pay attention to the following things:

First, the storage place must be dry and well ventilated. If this compound encounters a humid environment, it may cause chemical reactions such as hydrolysis and cause it to deteriorate. Humid gas easily interacts with some active groups in the compound, which impairs its chemical stability. Therefore, it is necessary to choose a dry place with smooth ventilation to avoid the accumulation of harmful gases.

Second, temperature is also critical. It should be stored in a cool environment to avoid heat. If the temperature is too high, it may increase the reactivity of the compound, which may cause reactions such as decomposition and polymerization, which will not only affect its quality, but also cause safety accidents. Generally speaking, the storage temperature should be controlled within a specific range, and it must not be exposed to high temperature environment.

Third, this compound has certain toxicity and irritation. When storing and transporting, it is necessary to take protective measures. Operators should wear appropriate protective equipment, such as protective clothing, gloves, goggles, etc., to prevent skin contact and respiratory inhalation. In case of inadvertent contact, it may cause damage to the human body, such as irritating the skin, eyes, and even endangering the respiratory tract and nervous system.

Fourth, the storage container must be selected to suit. It is advisable to use corrosion-resistant materials, such as specific plastic or metal containers, to ensure that the container is well sealed and there is no risk of leakage. If the container is made of improper materials or reacts with compounds, it will cause damage to the container and cause leakage. And leakage will not only cause material loss, but also pose a threat to the environment and personnel safety.

Fifth, during transportation, ensure stability and avoid severe vibration and collision. Strong vibration and collision may damage the container, increasing the risk of leakage. Transportation vehicles should also have corresponding safety facilities and follow specific transportation specifications and routes to ensure the safety of the entire transportation process.

3-Chloro-4-Fluorobenzyl impact of Cyanide on the environment and human health

3-Chloro-4-fluorobenzyl cyanide, which has an impact on the environment and human health.

First talk about its impact on the environment. If this chemical is released in nature, it may remain in soil and water. Because of its certain chemical stability, it degrades slowly. In soil, it may cause changes in soil quality, interfere with the balance of soil microbial communities, and affect the normal functions of soil ecosystems, such as soil nutrient cycling, decomposition of organic matter, etc. In water bodies, it may endanger aquatic organisms. Its toxicity or damage to the physiological functions of fish, plankton and other aquatic organisms, and even death, destroy the stability of aquatic ecological chains, and trigger a chain reaction in the ecosystem.

As for the impact on human health, this substance can invade the human body in various ways. If inhaled through the respiratory tract, or irritates the mucosa of the respiratory tract, it can cause symptoms such as cough and asthma. Long-term inhalation may damage lung function and increase the risk of respiratory diseases. If exposed to the skin, it may cause skin allergies, redness, swelling, itching, etc., because it is irritating and toxic. If eaten accidentally, it may damage the digestive system, causing nausea, vomiting, abdominal pain and other symptoms. In severe cases, it may be life-threatening.

And because of its chlorine, fluorine and other elements, under certain conditions, it may participate in chemical reactions and generate other harmful by-products, further exacerbating the threat to the environment and human health. Therefore, in the production, use and disposal of this substance, it is necessary to exercise due caution and proper protection and disposal to reduce its harm to the environment and the human body.