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1-Chloro-2-Isocyanato-4-(Trifluoromethyl)Benzene
Linshang Chemical
|
HS Code |
306752 |
| Chemical Formula | C8H3ClF3NO |
| Molecular Weight | 221.56 |
| Appearance | Typically a liquid |
| Boiling Point | Data may vary, check specific sources |
| Melting Point | Data may vary, check specific sources |
| Density | Data may vary, check specific sources |
| Vapor Pressure | Data may vary, check specific sources |
| Solubility | Solubility characteristics depend on solvents |
| Flash Point | Data may vary, check specific sources |
| Hazard Class | Corrosive, toxic; check safety data sheet for details |
As an accredited 1-Chloro-2-Isocyanato-4-(Trifluoromethyl)Benzene factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | 1 - chloro - 2 - isocyanato - 4 - (trifluoromethyl)benzene in 100 - gram bottles for chemical packaging. |
| Storage | 1 - Chloro - 2 - isocyanato - 4 - (trifluoromethyl)benzene should be stored in a cool, dry, well - ventilated area. Keep it away from sources of heat, ignition, and moisture. Store in a tightly - sealed container, preferably made of corrosion - resistant materials, to prevent leakage. Segregate from incompatible substances like amines, alcohols, and water to avoid dangerous reactions. |
| Shipping | 1 - chloro - 2 - isocyanato - 4 - (trifluoromethyl)benzene is a hazardous chemical. Shipping requires proper packaging in accordance with regulations, using containers suitable for its corrosive and potentially reactive nature, with clear hazard labels. |
Competitive 1-Chloro-2-Isocyanato-4-(Trifluoromethyl)Benzene prices that fit your budget—flexible terms and customized quotes for every order.
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As a leading 1-Chloro-2-Isocyanato-4-(Trifluoromethyl)Benzene supplier, we deliver high-quality products across diverse grades to meet evolving needs, empowering global customers with safe, efficient, and compliant chemical solutions.
What are the main uses of 1-chloro-2-isocyanato-4- (trifluoromethyl) benzene?
1 - chloro - 2 - isocyanato - 4 - (trifluoromethyl) benzene, Chinese name 1 - chloro - 2 - isocyanate - 4 - (trifluoromethyl) benzene, this compound has a wide range of uses.
In the field of organic synthesis, it is a key intermediate. It can be used to construct multiple heterocyclic compounds, which can undergo nucleophilic addition reactions with compounds with active hydrogen, such as alcohols, amines, etc., to form urethane and urea derivatives. These products have important uses in many fields such as medicine, pesticides, and materials. For example, in pharmaceutical research and development, urea derivatives with specific structures synthesized by this compound may have unique biological activities and can be used as potential pharmaceutical active ingredients.
In the field of polymer materials, it can participate in the preparation of special polyurethane. Because its structure contains isocyanate groups, it can react with polyols to form fluorinated polyurethane. This fluorinated polyurethane has obtained special properties due to the introduction of fluorine atoms, such as excellent weather resistance, chemical corrosion resistance and low surface energy. It can be used in coatings, adhesives, elastomers and other materials to improve material properties. For example, in high-end coatings, the coating can have excellent wear resistance and chemical medium resistance.
In terms of pesticide creation, pesticides synthesized from 1-chloro-2-isocyanate-4- (trifluoromethyl) benzene, or due to the synergy of fluorine atoms and benzene ring structures, have high-efficiency control activities against specific pests and diseases, and may have advantages such as environmental friendliness and low toxicity, opening up new paths for the research and development of new pesticides.
In the field of organic synthesis, it is a key intermediate. It can be used to construct multiple heterocyclic compounds, which can undergo nucleophilic addition reactions with compounds with active hydrogen, such as alcohols, amines, etc., to form urethane and urea derivatives. These products have important uses in many fields such as medicine, pesticides, and materials. For example, in pharmaceutical research and development, urea derivatives with specific structures synthesized by this compound may have unique biological activities and can be used as potential pharmaceutical active ingredients.
In the field of polymer materials, it can participate in the preparation of special polyurethane. Because its structure contains isocyanate groups, it can react with polyols to form fluorinated polyurethane. This fluorinated polyurethane has obtained special properties due to the introduction of fluorine atoms, such as excellent weather resistance, chemical corrosion resistance and low surface energy. It can be used in coatings, adhesives, elastomers and other materials to improve material properties. For example, in high-end coatings, the coating can have excellent wear resistance and chemical medium resistance.
In terms of pesticide creation, pesticides synthesized from 1-chloro-2-isocyanate-4- (trifluoromethyl) benzene, or due to the synergy of fluorine atoms and benzene ring structures, have high-efficiency control activities against specific pests and diseases, and may have advantages such as environmental friendliness and low toxicity, opening up new paths for the research and development of new pesticides.
What are the physical properties of 1-chloro-2-isocyanato-4- (trifluoromethyl) benzene
1 - chloro - 2 - isocyanato - 4 - (trifluoromethyl) benzene, this is an organic compound. Its physical properties are quite characteristic, let me explain in detail.
Looking at its shape, under room temperature and pressure, it is mostly liquid, due to the characteristics of intermolecular forces. Its color is colorless and transparent, or slightly yellow, like a spring slightly dyed, but it does not lose a sense of purity.
As for the smell, it is often irritating, just like the pungent smell in spring, which can make people instantly aware of its existence. This pungent smell originates from the active groups such as isocyanate groups contained in the molecular structure.
When it comes to solubility, it has good solubility in organic solvents, such as toluene and xylene of aromatics, dichloromethane and chloroform of halogenated hydrocarbons, etc. This is due to the principle of "similar phase dissolution". Its molecular structure is similar to the polarity of the molecular structure of organic solvents, so it can blend with each other, just like water and milk.
Its boiling point, determined by many experiments, is about a certain temperature range. The specific value is roughly within a certain range due to the subtle difference or slight difference in experimental conditions. The characteristics of this boiling point are closely related to the strength of the intermolecular force. The stronger the intermolecular force, the higher the energy required to transform it from liquid to gas, and the boiling point also rises.
In terms of melting point, there is also a specific value. When the temperature drops below this melting point, the compound solidifies from a liquid state to a solid state, and the shape changes, just like water freezes in winter, quietly undergoing qualitative transformation.
In terms of density, compared with water, it has its unique value. This density characteristic is essential in chemical production and related experimental operations, which is related to the mixing and delamination of materials.
The physical properties of this 1-chloro-2-isocyanato-4 - (trifluoromethyl) benzene are of great significance in many fields such as organic synthesis and materials science. The design and implementation of many chemical reactions require following the laws of their physical properties in order to successfully achieve the desired goals.
Looking at its shape, under room temperature and pressure, it is mostly liquid, due to the characteristics of intermolecular forces. Its color is colorless and transparent, or slightly yellow, like a spring slightly dyed, but it does not lose a sense of purity.
As for the smell, it is often irritating, just like the pungent smell in spring, which can make people instantly aware of its existence. This pungent smell originates from the active groups such as isocyanate groups contained in the molecular structure.
When it comes to solubility, it has good solubility in organic solvents, such as toluene and xylene of aromatics, dichloromethane and chloroform of halogenated hydrocarbons, etc. This is due to the principle of "similar phase dissolution". Its molecular structure is similar to the polarity of the molecular structure of organic solvents, so it can blend with each other, just like water and milk.
Its boiling point, determined by many experiments, is about a certain temperature range. The specific value is roughly within a certain range due to the subtle difference or slight difference in experimental conditions. The characteristics of this boiling point are closely related to the strength of the intermolecular force. The stronger the intermolecular force, the higher the energy required to transform it from liquid to gas, and the boiling point also rises.
In terms of melting point, there is also a specific value. When the temperature drops below this melting point, the compound solidifies from a liquid state to a solid state, and the shape changes, just like water freezes in winter, quietly undergoing qualitative transformation.
In terms of density, compared with water, it has its unique value. This density characteristic is essential in chemical production and related experimental operations, which is related to the mixing and delamination of materials.
The physical properties of this 1-chloro-2-isocyanato-4 - (trifluoromethyl) benzene are of great significance in many fields such as organic synthesis and materials science. The design and implementation of many chemical reactions require following the laws of their physical properties in order to successfully achieve the desired goals.
What are the chemical properties of 1-chloro-2-isocyanato-4- (trifluoromethyl) benzene
1-Chloro-2-isocyanate-4- (trifluoromethyl) benzene, this is an organic compound with unique chemical properties.
First of all, its reactivity. Isocyanate (-NCO) is active and can react with many compounds containing active hydrogen. In case of alcohols, an alcoholysis reaction occurs to form carbamates. The reaction mechanism is that the hydroxyl hydrogen in the alcohol combines with the nitrogen atom of the isocyanate, and the oxygen atom of the alcohol is connected with the carbon atom of the isocyanate to form a new chemical bond. When it encounters amines, an aminolysis reaction occurs to form ureas. This is because the amine hydrogen binds to the nitrogen atom of the isocyanate, and the nitrogen atom of the amine group is connected to the carbon atom of the isocyanate.
Re-discussion on the properties of its halogen atom. Chlorine atoms in molecules can participate in nucleophilic substitution reactions. In the presence of appropriate nucleophilic reagents, such as hydroxide ions, sodium alcohols, etc., chlorine atoms can be replaced by nucleophilic reagents. For example, under basic conditions, chlorine atoms can be replaced by hydroxyl groups to generate corresponding phenolic derivatives. During this reaction, the nucleophilic reagents attack the carbon atoms connected to the chlorine atoms, and the chlorine atoms leave with a pair of electrons.
As for trifluoromethyl, due to its strong electron absorption, it will affect the electron cloud density distribution The electron cloud density of the benzene ring is reduced, especially the ortho and para-sites are more affected. This results in a decrease in the electrophilic substitution activity of the benzene ring, while the nucleophilic substitution activity is relatively increased. At the same time, the presence of trifluoromethyl also affects the physical properties of the whole molecule, such as boiling point, melting point, solubility, etc. Generally speaking, it will reduce the boiling point of the compound and change the solubility in organic solvents.
1-chloro-2-isocyanate-4 - (trifluoromethyl) phenyl contains different functional groups, showing a variety of chemical properties, which lay the foundation for applications in organic synthesis and other fields.
First of all, its reactivity. Isocyanate (-NCO) is active and can react with many compounds containing active hydrogen. In case of alcohols, an alcoholysis reaction occurs to form carbamates. The reaction mechanism is that the hydroxyl hydrogen in the alcohol combines with the nitrogen atom of the isocyanate, and the oxygen atom of the alcohol is connected with the carbon atom of the isocyanate to form a new chemical bond. When it encounters amines, an aminolysis reaction occurs to form ureas. This is because the amine hydrogen binds to the nitrogen atom of the isocyanate, and the nitrogen atom of the amine group is connected to the carbon atom of the isocyanate.
Re-discussion on the properties of its halogen atom. Chlorine atoms in molecules can participate in nucleophilic substitution reactions. In the presence of appropriate nucleophilic reagents, such as hydroxide ions, sodium alcohols, etc., chlorine atoms can be replaced by nucleophilic reagents. For example, under basic conditions, chlorine atoms can be replaced by hydroxyl groups to generate corresponding phenolic derivatives. During this reaction, the nucleophilic reagents attack the carbon atoms connected to the chlorine atoms, and the chlorine atoms leave with a pair of electrons.
As for trifluoromethyl, due to its strong electron absorption, it will affect the electron cloud density distribution The electron cloud density of the benzene ring is reduced, especially the ortho and para-sites are more affected. This results in a decrease in the electrophilic substitution activity of the benzene ring, while the nucleophilic substitution activity is relatively increased. At the same time, the presence of trifluoromethyl also affects the physical properties of the whole molecule, such as boiling point, melting point, solubility, etc. Generally speaking, it will reduce the boiling point of the compound and change the solubility in organic solvents.
1-chloro-2-isocyanate-4 - (trifluoromethyl) phenyl contains different functional groups, showing a variety of chemical properties, which lay the foundation for applications in organic synthesis and other fields.
What are the synthesis methods of 1-chloro-2-isocyanato-4- (trifluoromethyl) benzene
The synthesis of 1-chloro-2-isocyanate-4- (trifluoromethyl) benzene is a common research in the field of organic synthesis. Due to its unique chemical properties, this compound has important uses in materials science, medicinal chemistry and many other aspects, so it is essential to find an effective synthesis route.
One method can be initiated from benzene derivatives containing specific substituents. For example, 4- (trifluoromethyl) -o-chloroaniline is used as a raw material to react with phosgene or phosgene substitutes. This reaction needs to be carried out in a suitable reaction medium, such as an aprotic organic solvent, such as dichloromethane and toluene. The reaction temperature also needs to be precisely controlled. Usually between low temperature and room temperature, the amino group can be smoothly converted into an isocyanate group, and then the target product 1-chloro-2-isocyanate-4 - (trifluoromethyl) benzene can be obtained. In this process, the amount of phosgene or substitute, and the reaction time are all key factors, which have a great impact on the yield and purity of the product.
Furthermore, halobenzoic acid can also be used as the starting material. First, the carboxyl group is converted into an isocyanate group by an appropriate method. This step can be achieved by a multi-step reaction. For example, the carboxyl group is first converted into an acyl chloride, and chlorination reagents such as dichlorosulfoxide are commonly used. The reaction conditions are relatively mild and generally refluxed. Then, the acid chloride is reacted with nitrogenous reagents such as urea or cyanamide to form an isocyanate intermediate, which is then properly treated to finally form the target product. In this process, the conditions of each step of the reaction are optimized, including the proportion of reagents, reaction temperature, reaction time, and separation and purification steps, which are all key to ensure the quality of the product.
Another synthesis strategy can be started from fluoroaromatics, and chlorine atoms and isocyanate groups can be introduced through the coupling reaction catalyzed by transition metals. Such methods often require the selection of suitable transition metal catalysts, such as palladium, copper, etc., as well as specific ligands, to promote the reaction. This approach requires high reaction conditions, such as the pH of the reaction system, the amount of catalyst, the reaction temperature and time, etc., all need to be fine-tuned to achieve efficient synthesis of the target product.
In short, there are various synthesis methods for 1-chloro-2-isocyanate-4- (trifluoromethyl) benzene, but each method has its own advantages and disadvantages. In practical applications, it is necessary to comprehensively consider the availability of raw materials, the difficulty of reaction conditions, the purity and yield of the product, etc., in order to select the most suitable synthesis route.
One method can be initiated from benzene derivatives containing specific substituents. For example, 4- (trifluoromethyl) -o-chloroaniline is used as a raw material to react with phosgene or phosgene substitutes. This reaction needs to be carried out in a suitable reaction medium, such as an aprotic organic solvent, such as dichloromethane and toluene. The reaction temperature also needs to be precisely controlled. Usually between low temperature and room temperature, the amino group can be smoothly converted into an isocyanate group, and then the target product 1-chloro-2-isocyanate-4 - (trifluoromethyl) benzene can be obtained. In this process, the amount of phosgene or substitute, and the reaction time are all key factors, which have a great impact on the yield and purity of the product.
Furthermore, halobenzoic acid can also be used as the starting material. First, the carboxyl group is converted into an isocyanate group by an appropriate method. This step can be achieved by a multi-step reaction. For example, the carboxyl group is first converted into an acyl chloride, and chlorination reagents such as dichlorosulfoxide are commonly used. The reaction conditions are relatively mild and generally refluxed. Then, the acid chloride is reacted with nitrogenous reagents such as urea or cyanamide to form an isocyanate intermediate, which is then properly treated to finally form the target product. In this process, the conditions of each step of the reaction are optimized, including the proportion of reagents, reaction temperature, reaction time, and separation and purification steps, which are all key to ensure the quality of the product.
Another synthesis strategy can be started from fluoroaromatics, and chlorine atoms and isocyanate groups can be introduced through the coupling reaction catalyzed by transition metals. Such methods often require the selection of suitable transition metal catalysts, such as palladium, copper, etc., as well as specific ligands, to promote the reaction. This approach requires high reaction conditions, such as the pH of the reaction system, the amount of catalyst, the reaction temperature and time, etc., all need to be fine-tuned to achieve efficient synthesis of the target product.
In short, there are various synthesis methods for 1-chloro-2-isocyanate-4- (trifluoromethyl) benzene, but each method has its own advantages and disadvantages. In practical applications, it is necessary to comprehensively consider the availability of raw materials, the difficulty of reaction conditions, the purity and yield of the product, etc., in order to select the most suitable synthesis route.
What are the precautions for 1-chloro-2-isocyanato-4- (trifluoromethyl) benzene during use?
1-Chloro-2-isocyanate-4- (trifluoromethyl) benzene is an important raw material in organic synthesis. When using it, all precautions should not be ignored.
This substance is toxic and irritating, and can cause physical damage if it touches the skin, inhaled or taken by mistake. Therefore, when operating, be sure to wear protective clothing, goggles and gas masks to ensure your own safety. If you accidentally touch it, rinse it with plenty of water quickly and seek medical attention.
Its chemical properties are active, and isocyanate can react with many nucleophiles such as alcohols and amines. When using, pay attention to the control of reaction conditions, such as temperature, pH and reaction time, to prevent side reactions. If the temperature is too high, or the reaction is out of control, the product is impure.
1-chloro-2-isocyanate-4 - (trifluoromethyl) benzene is sensitive to moisture and hydrolyzes in contact with water, resulting in corresponding amines and carbon dioxide. When storing and using, ensure that the environment is dry, and the equipment used should also be sufficiently dry to prevent water vapor from being introduced into the system and affecting the reaction process and product quality.
Furthermore, this substance is flammable, and fireworks should be strictly prohibited in the place of use, and fire extinguishing facilities should be provided. Handle with care when handling to avoid leakage caused by damage to the container. In the event of a leak, quickly evacuate unrelated personnel and isolate the scene. Emergency responders must wear protective equipment, absorb it with inert materials such as sand and vermiculite, and dispose of it properly.
All of these are for the use of 1-chloro-2-isocyanate-4 - (trifluoromethyl) benzene. Be careful when operating to ensure safety and smooth experimentation.
This substance is toxic and irritating, and can cause physical damage if it touches the skin, inhaled or taken by mistake. Therefore, when operating, be sure to wear protective clothing, goggles and gas masks to ensure your own safety. If you accidentally touch it, rinse it with plenty of water quickly and seek medical attention.
Its chemical properties are active, and isocyanate can react with many nucleophiles such as alcohols and amines. When using, pay attention to the control of reaction conditions, such as temperature, pH and reaction time, to prevent side reactions. If the temperature is too high, or the reaction is out of control, the product is impure.
1-chloro-2-isocyanate-4 - (trifluoromethyl) benzene is sensitive to moisture and hydrolyzes in contact with water, resulting in corresponding amines and carbon dioxide. When storing and using, ensure that the environment is dry, and the equipment used should also be sufficiently dry to prevent water vapor from being introduced into the system and affecting the reaction process and product quality.
Furthermore, this substance is flammable, and fireworks should be strictly prohibited in the place of use, and fire extinguishing facilities should be provided. Handle with care when handling to avoid leakage caused by damage to the container. In the event of a leak, quickly evacuate unrelated personnel and isolate the scene. Emergency responders must wear protective equipment, absorb it with inert materials such as sand and vermiculite, and dispose of it properly.
All of these are for the use of 1-chloro-2-isocyanate-4 - (trifluoromethyl) benzene. Be careful when operating to ensure safety and smooth experimentation.
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