Linshang Chemical
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1-Chloro-4-Isocyanato-2-(Trifluoromethyl)Benzene
Linshang Chemical
|
HS Code |
986660 |
| Chemical Formula | C8H3ClF3NO |
| Molecular Weight | 221.563 |
| Appearance | Typically a colorless to light yellow liquid |
| Boiling Point | Approximately 190 - 195 °C |
| Solubility | Soluble in common organic solvents like dichloromethane, toluene |
| Vapor Pressure | Low vapor pressure at room temperature |
| Reactivity | Highly reactive towards nucleophiles due to isocyanate group |
As an accredited 1-Chloro-4-Isocyanato-2-(Trifluoromethyl)Benzene factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | 1 - chloro - 4 - isocyanato - 2 - (trifluoromethyl)benzene, 500g, packaged in a sealed, corrosion - resistant container. |
| Storage | 1 - Chloro - 4 - isocyanato - 2 - (trifluoromethyl)benzene should be stored in a cool, dry, well - ventilated area, away from sources of heat, ignition, and direct sunlight. It must be kept in a tightly sealed container to prevent vapor leakage. Store it separately from incompatible substances like amines, alcohols, and water to avoid dangerous reactions. |
| Shipping | 1 - chloro - 4 - isocyanato - 2 - (trifluoromethyl)benzene is a chemical. Shipping requires proper classification as hazardous. It must be packaged in accordance with regulations, using appropriate containers to prevent leaks during transport. |
Competitive 1-Chloro-4-Isocyanato-2-(Trifluoromethyl)Benzene prices that fit your budget—flexible terms and customized quotes for every order.
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What are the chemical properties of 1-chloro-4-isocyanato-2- (trifluoromethyl) benzene
1 - chloro - 4 - isocyanato - 2 - (trifluoromethyl) benzene is an organic compound with unique chemical properties. Its molecules contain chlorine atoms, isocyanates and trifluoromethyl groups, and this structure endows the compound with various chemical activities.
First of all, chlorine atoms are active and can undergo nucleophilic substitution reactions. Due to their electronegativity and atomic radius, they can change the electron cloud density of the benzene ring, and the electron cloud density of the ortho-para-position is relatively increased, making nucleophilic reagents more vulnerable to attack. In case of nucleophilic reagents such as hydroxyl anions, chlorine atoms may be replaced to form new compounds containing hydroxyl groups.
Isocyanate activity is also high. It is highly unsaturated and easily reacts with active hydrogen-containing compounds, such as alcohols and amines. When reacted with alcohols, carbamate compounds will be formed; when reacted with amines, urea compounds will be formed. This reaction is widely used in the synthesis of drugs, pesticides and polymer materials.
Trifluoromethyl is a strong electron-absorbing group, which can significantly affect the distribution of benzene ring electron cloud, reduce the density of benzene ring electron cloud, and reduce the activity of benzene ring electrophilic substitution reaction. At the same time, the introduction of trifluoromethyl can enhance the lipid solubility of compounds, affecting their physical properties such as melting point, boiling point and solubility. Generally speaking, trifluoromethyl-containing compounds have improved lipid solubility and better solubility in organic solvents, which is crucial for their application in organic synthesis and drug development.
In addition, the chemical properties of 1-chloro-4-isocyanato-2 - (trifluoromethyl) benzene are influenced by the interaction of various groups in the molecule. The electronic effect of each group is synergistic with the spatial effect to determine the overall reactivity and selectivity of the compound. In chemical reactions, the interaction of each group needs to be considered to control the reaction conditions and achieve the synthesis of the target product.
First of all, chlorine atoms are active and can undergo nucleophilic substitution reactions. Due to their electronegativity and atomic radius, they can change the electron cloud density of the benzene ring, and the electron cloud density of the ortho-para-position is relatively increased, making nucleophilic reagents more vulnerable to attack. In case of nucleophilic reagents such as hydroxyl anions, chlorine atoms may be replaced to form new compounds containing hydroxyl groups.
Isocyanate activity is also high. It is highly unsaturated and easily reacts with active hydrogen-containing compounds, such as alcohols and amines. When reacted with alcohols, carbamate compounds will be formed; when reacted with amines, urea compounds will be formed. This reaction is widely used in the synthesis of drugs, pesticides and polymer materials.
Trifluoromethyl is a strong electron-absorbing group, which can significantly affect the distribution of benzene ring electron cloud, reduce the density of benzene ring electron cloud, and reduce the activity of benzene ring electrophilic substitution reaction. At the same time, the introduction of trifluoromethyl can enhance the lipid solubility of compounds, affecting their physical properties such as melting point, boiling point and solubility. Generally speaking, trifluoromethyl-containing compounds have improved lipid solubility and better solubility in organic solvents, which is crucial for their application in organic synthesis and drug development.
In addition, the chemical properties of 1-chloro-4-isocyanato-2 - (trifluoromethyl) benzene are influenced by the interaction of various groups in the molecule. The electronic effect of each group is synergistic with the spatial effect to determine the overall reactivity and selectivity of the compound. In chemical reactions, the interaction of each group needs to be considered to control the reaction conditions and achieve the synthesis of the target product.
What are the main uses of 1-chloro-4-isocyanato-2- (trifluoromethyl) benzene
1-Chloro-4-isocyanate-2 - (trifluoromethyl) benzene is an important compound in organic chemistry. It is widely used in the field of materials science and is often used as a raw material for the synthesis of special performance polymers. Due to the molecular structure containing isocyanate and trifluoromethyl, the synthesized polymer has high heat resistance, chemical corrosion resistance and excellent mechanical properties, and is mostly used in aerospace, automobile manufacturing and other industries that require strict material properties.
In the field of pharmaceutical chemistry, it can be used as a key intermediate. Isocyanate has high reactivity and can react with many compounds containing active hydrogen, thereby constructing complex drug molecular structures, assisting in the research and development of new drugs, and contributing to human health.
In the field of pesticides, pesticides synthesized from it have high insecticidal and bactericidal properties due to the strong electronegativity and unique electronic effects of trifluoromethyl, and are environmentally friendly, which is in line with the current trend of green pesticide development.
Furthermore, in organic synthesis chemistry, it is an important building block for the construction of functional organic molecules. With the different reactivity of chlorine atoms and isocyanate, various organic compounds with specific structures and functions can be precisely constructed through multi-step reactions, which greatly promotes the development of organic synthesis chemistry. In conclusion, 1-chloro-4-isocyanate-2 - (trifluoromethyl) benzene plays an indispensable role in many fields.
In the field of pharmaceutical chemistry, it can be used as a key intermediate. Isocyanate has high reactivity and can react with many compounds containing active hydrogen, thereby constructing complex drug molecular structures, assisting in the research and development of new drugs, and contributing to human health.
In the field of pesticides, pesticides synthesized from it have high insecticidal and bactericidal properties due to the strong electronegativity and unique electronic effects of trifluoromethyl, and are environmentally friendly, which is in line with the current trend of green pesticide development.
Furthermore, in organic synthesis chemistry, it is an important building block for the construction of functional organic molecules. With the different reactivity of chlorine atoms and isocyanate, various organic compounds with specific structures and functions can be precisely constructed through multi-step reactions, which greatly promotes the development of organic synthesis chemistry. In conclusion, 1-chloro-4-isocyanate-2 - (trifluoromethyl) benzene plays an indispensable role in many fields.
What is the synthesis method of 1-chloro-4-isocyanato-2- (trifluoromethyl) benzene
The synthesis of 1-chloro-4-isocyanate-2 - (trifluoromethyl) benzene is a key issue in the field of organic synthesis. This compound has important uses in many fields such as materials science and medicinal chemistry, and the investigation of its synthesis path has always been valued by chemists.
In the past, the common method for synthesizing this compound was to use benzene derivatives containing corresponding substituents as starting materials. First, 2 - (trifluoromethyl) - 4 - chloroaniline can be selected as the initial material to react with phosgene or phosgene substitutes under suitable reaction conditions. Phosgene is a highly toxic and highly reactive substance. It needs to be used with extreme caution. The operation must be carried out under strict protective measures and precise reaction control. In the reaction system, temperature, reaction time and the proportion of reactants are all key factors. Generally speaking, the reaction temperature should be maintained in the low temperature range to prevent the occurrence of side reactions, and it needs to be carried out in an inert gas environment to ensure the smooth reaction.
Another way is to use 2- (trifluoromethyl) -4-chlorobenzoic acid as the starting material. It is first converted into the corresponding acid chloride, which can be achieved by reacting with chlorinated reagents such as thionyl chloride. The resulting acid chloride is then reacted with urea or cyanamide compounds under specific conditions to form an isocyanate group, and the final product is 1-chloro-4-isocyanate-2 - (trifluoromethyl) benzene. In this process, the conditions of each step of the reaction also need to be carefully controlled. For example, in the acid chloride generation step, the control of the reaction temperature and time, and the subsequent formation of isocyanates, the choice of solvent and the trade-off of the proportion of the reactants have a significant impact on the purity and yield of the product.
Or it can be synthesized by the transition metal-catalyzed cross-coupling reaction between the aryl halide and the isocyanate precursor. This method takes advantage of the unique activity of transition metal catalysts to promote the orientation of the reaction. Common transition metals such as palladium and copper catalysts, with suitable ligands, can effectively improve the selectivity and efficiency of the reaction. However, such methods also require quite strict reaction conditions. The loading amount of the catalyst, the polarity of the reaction solvent, and the type and dosage of bases need to be carefully considered and optimized to achieve efficient and high-purity synthesis.
In the past, the common method for synthesizing this compound was to use benzene derivatives containing corresponding substituents as starting materials. First, 2 - (trifluoromethyl) - 4 - chloroaniline can be selected as the initial material to react with phosgene or phosgene substitutes under suitable reaction conditions. Phosgene is a highly toxic and highly reactive substance. It needs to be used with extreme caution. The operation must be carried out under strict protective measures and precise reaction control. In the reaction system, temperature, reaction time and the proportion of reactants are all key factors. Generally speaking, the reaction temperature should be maintained in the low temperature range to prevent the occurrence of side reactions, and it needs to be carried out in an inert gas environment to ensure the smooth reaction.
Another way is to use 2- (trifluoromethyl) -4-chlorobenzoic acid as the starting material. It is first converted into the corresponding acid chloride, which can be achieved by reacting with chlorinated reagents such as thionyl chloride. The resulting acid chloride is then reacted with urea or cyanamide compounds under specific conditions to form an isocyanate group, and the final product is 1-chloro-4-isocyanate-2 - (trifluoromethyl) benzene. In this process, the conditions of each step of the reaction also need to be carefully controlled. For example, in the acid chloride generation step, the control of the reaction temperature and time, and the subsequent formation of isocyanates, the choice of solvent and the trade-off of the proportion of the reactants have a significant impact on the purity and yield of the product.
Or it can be synthesized by the transition metal-catalyzed cross-coupling reaction between the aryl halide and the isocyanate precursor. This method takes advantage of the unique activity of transition metal catalysts to promote the orientation of the reaction. Common transition metals such as palladium and copper catalysts, with suitable ligands, can effectively improve the selectivity and efficiency of the reaction. However, such methods also require quite strict reaction conditions. The loading amount of the catalyst, the polarity of the reaction solvent, and the type and dosage of bases need to be carefully considered and optimized to achieve efficient and high-purity synthesis.
1-chloro-4-isocyanato-2- (trifluoromethyl) benzene in storage and transportation
1-Chloro-4-isocyanate-2- (trifluoromethyl) benzene is a chemical substance commonly used in organic synthesis. During storage and transportation, many matters must be paid attention to.
First storage environment. Must be placed in a cool, dry and well-ventilated place. This is due to the heat or moisture of the substance, which can easily cause chemical reactions, resulting in deterioration or danger. If the ambient humidity is high, water vapor may react with the isocyanate in the substance to produce unstable intermediates, or further decompose, releasing harmful gases. If the temperature is too high, it may also accelerate its own decomposition process and increase the risk of explosion.
The second is the packaging requirement. The packaging must be tight to prevent leakage. It is often contained in a closed container, and the material of the container must be compatible with the substance. For example, glass or specific plastic containers can effectively block the interference of external factors. However, it is necessary to consider the corrosiveness of the substance to certain materials. If improper materials are selected, long-term contact may cause damage to the packaging, cause material leakage, and endanger the surrounding environment and personal safety.
When transporting, it is necessary to operate in strict accordance with regulations. Transportation vehicles must be equipped with corresponding emergency treatment equipment and protective equipment, such as fire extinguishers, leakage emergency treatment tools, etc. Transport personnel should also receive professional training to be familiar with the characteristics of the substance and emergency response methods. During transportation, avoid high temperature, open flames and severe vibration to ensure transportation safety.
In addition, this substance is toxic and irritating. Storage and transportation places must be clearly marked with warning signs to inform others of its danger. When people come into contact, be sure to take protective measures, such as wearing protective gloves, masks and goggles, to prevent damage to the human body. In the event of a leak, people should be evacuated immediately, the contaminated area should be isolated, and corresponding treatment measures should be taken according to the leakage situation, such as absorbing with inert materials such as sand and vermiculite, or neutralizing with suitable chemical reagents. Do not dispose blindly to avoid causing greater harm.
First storage environment. Must be placed in a cool, dry and well-ventilated place. This is due to the heat or moisture of the substance, which can easily cause chemical reactions, resulting in deterioration or danger. If the ambient humidity is high, water vapor may react with the isocyanate in the substance to produce unstable intermediates, or further decompose, releasing harmful gases. If the temperature is too high, it may also accelerate its own decomposition process and increase the risk of explosion.
The second is the packaging requirement. The packaging must be tight to prevent leakage. It is often contained in a closed container, and the material of the container must be compatible with the substance. For example, glass or specific plastic containers can effectively block the interference of external factors. However, it is necessary to consider the corrosiveness of the substance to certain materials. If improper materials are selected, long-term contact may cause damage to the packaging, cause material leakage, and endanger the surrounding environment and personal safety.
When transporting, it is necessary to operate in strict accordance with regulations. Transportation vehicles must be equipped with corresponding emergency treatment equipment and protective equipment, such as fire extinguishers, leakage emergency treatment tools, etc. Transport personnel should also receive professional training to be familiar with the characteristics of the substance and emergency response methods. During transportation, avoid high temperature, open flames and severe vibration to ensure transportation safety.
In addition, this substance is toxic and irritating. Storage and transportation places must be clearly marked with warning signs to inform others of its danger. When people come into contact, be sure to take protective measures, such as wearing protective gloves, masks and goggles, to prevent damage to the human body. In the event of a leak, people should be evacuated immediately, the contaminated area should be isolated, and corresponding treatment measures should be taken according to the leakage situation, such as absorbing with inert materials such as sand and vermiculite, or neutralizing with suitable chemical reagents. Do not dispose blindly to avoid causing greater harm.
What are the effects of 1-chloro-4-isocyanato-2- (trifluoromethyl) benzene on the environment and the human body?
1-Chloro-4-isocyanate-2 - (trifluoromethyl) benzene, an organic compound, is used in the industrial field, but it is potentially harmful to the environment and the human body.
First talk about its impact on the environment. If this compound is released into the environment, it is difficult to degrade in the atmosphere due to its halogen elements such as chlorine and fluorine, or it may remain in the atmosphere for a long time. Chlorine atoms can catalyze the destruction of the ozone layer under specific conditions, causing ozone layer depletion, increasing the ultraviolet radiation on the earth's surface and harming organisms. If it enters the water body, it may affect the water quality and pose a threat to the survival and reproduction of aquatic organisms. Because of its active chemical properties, or react with other substances in the water, change the chemical composition of the water body and affect the balance of the water ecosystem. In the soil, it may affect the activity of soil microorganisms, interfere with the normal material circulation and energy conversion in the soil, and then affect plant growth.
Re-discussion of its effects on the human body. This compound is irritating and toxic. After contact with the human body, it may cause irritation to the skin, eyes and respiratory tract. If accidentally exposed to the skin, it can cause skin redness, swelling, itching, and in severe cases, blisters and ulceration. Eye entry can damage eye tissue and affect vision. Inhalation of the compound's vapor can irritate the respiratory mucosa, causing symptoms such as cough, asthma, and breathing difficulties. Long-term exposure to this environment may harm the human nervous system and immune system. The nervous system is affected, or it may cause symptoms such as headache, dizziness, fatigue, insomnia, etc.; the immune system is damaged, the human body's ability to resist diseases is reduced, and it is prone to various diseases. And studies have shown that such compounds containing isocyanate may be potentially carcinogenic, and long-term exposure will increase the risk of cancer.
Therefore, in the production, use and disposal of 1-chloro-4-isocyanate-2 - (trifluoromethyl) benzene, strict protective and control measures are taken to reduce its harm to the environment and people.
First talk about its impact on the environment. If this compound is released into the environment, it is difficult to degrade in the atmosphere due to its halogen elements such as chlorine and fluorine, or it may remain in the atmosphere for a long time. Chlorine atoms can catalyze the destruction of the ozone layer under specific conditions, causing ozone layer depletion, increasing the ultraviolet radiation on the earth's surface and harming organisms. If it enters the water body, it may affect the water quality and pose a threat to the survival and reproduction of aquatic organisms. Because of its active chemical properties, or react with other substances in the water, change the chemical composition of the water body and affect the balance of the water ecosystem. In the soil, it may affect the activity of soil microorganisms, interfere with the normal material circulation and energy conversion in the soil, and then affect plant growth.
Re-discussion of its effects on the human body. This compound is irritating and toxic. After contact with the human body, it may cause irritation to the skin, eyes and respiratory tract. If accidentally exposed to the skin, it can cause skin redness, swelling, itching, and in severe cases, blisters and ulceration. Eye entry can damage eye tissue and affect vision. Inhalation of the compound's vapor can irritate the respiratory mucosa, causing symptoms such as cough, asthma, and breathing difficulties. Long-term exposure to this environment may harm the human nervous system and immune system. The nervous system is affected, or it may cause symptoms such as headache, dizziness, fatigue, insomnia, etc.; the immune system is damaged, the human body's ability to resist diseases is reduced, and it is prone to various diseases. And studies have shown that such compounds containing isocyanate may be potentially carcinogenic, and long-term exposure will increase the risk of cancer.
Therefore, in the production, use and disposal of 1-chloro-4-isocyanate-2 - (trifluoromethyl) benzene, strict protective and control measures are taken to reduce its harm to the environment and people.
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