Linshang Chemical
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1-Chloro-4-Isothiocyanatobenzene
Linshang Chemical
|
HS Code |
327603 |
| Chemical Formula | C7H4ClNS |
| Molecular Weight | 169.63 |
| Appearance | Typically a solid |
| Color | May be white to off - white |
| Odor | Pungent, irritating odor |
| Melting Point | Varies, but in a certain range |
| Boiling Point | Specific boiling point value |
| Solubility In Organic Solvents | Soluble in some organic solvents like dichloromethane |
| Density | Certain density value (g/cm³) |
| Reactivity | Reactive towards nucleophiles |
| Hazard Class | Corrosive and irritant |
As an accredited 1-Chloro-4-Isothiocyanatobenzene factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | 1 - chloro - 4 - isothiocyanatobenzene: Packaged in 500 - gram bottles, well - sealed for safety. |
| Storage | 1 - Chloro - 4 - isothiocyanatobenzene should be stored in a cool, dry, well - ventilated area away from heat sources and open flames. It must be kept in a tightly sealed container to prevent vapor release. Store it separately from incompatible substances like oxidizing agents, bases, and amines. Avoid exposure to moisture as it can react. |
| Shipping | 1 - Chloro - 4 - isothiocyanatobenzene is a chemical. Ship it in well - sealed, corrosion - resistant containers. Follow all hazardous chemical shipping regulations, including proper labeling and documentation for safe transport. |
Competitive 1-Chloro-4-Isothiocyanatobenzene prices that fit your budget—flexible terms and customized quotes for every order.
For samples, pricing, or more information, please call us at +8615365006308 or mail to info@alchemist-chem.com.
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Tel: +8615365006308
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As a leading 1-Chloro-4-Isothiocyanatobenzene supplier, we deliver high-quality products across diverse grades to meet evolving needs, empowering global customers with safe, efficient, and compliant chemical solutions.
What is the chemistry of 1-chloro-4-isothiocyanatobenzene?
1 - chloro - 4 - isothiocyanatobenzene, that is, 1 - chloro - 4 - isothiocyanate phenyl ester, is an organic compound. It has unique chemical properties and is very important in the field of organic synthesis.
In this compound, both chlorine atoms and isothiocyanate groups are active chemically. Chlorine atoms can participate in nucleophilic substitution reactions due to their electronegativity and atomic radius. Nucleophilic testers can attack the benzene ring carbon atoms attached to chlorine, causing the chlorine atoms to leave, thereby forming new carbon-nucleophilic bonds. This reaction is often used to introduce various functional groups to construct more complex organic molecular structures.
The isothiocyanate group (-NCS) also exhibits active chemical properties. Its nitrogen atom and sulfur atom both contain lone pair electrons, which can react with nucleophilic reagents as electrophilic reagents. It is particularly common to undergo nucleophilic addition reactions with compounds containing active hydrogen, such as alcohols and amines. When reacting with alcohols, the hydroxyl hydrogen of alcohols attacks the carbon atoms of isothiocyanate groups to form carbamates; when reacting with amines, thioureas are formed. Such reactions are widely used in the fields of drug synthesis, pesticide preparation, and materials science, providing an effective way to synthesize compounds with specific biological activities or material properties.
Furthermore, the benzene ring structure of 1-chloro-4-isothiocyanate gives it a certain stability and conjugation effect. The conjugation system of benzene ring can affect the electron cloud distribution of the substituent group, which in turn affects its chemical reaction activity. For example, the electronic effect of chlorine atoms and isothiocyanate groups can change the electron cloud density of carbon atoms at different positions on the benzene ring, resulting in nucleophilic substitution or electrophilic substitution reactions with regioselectivity.
Due to its active chemical properties, 1-chloro-4-isothiocyanate phenyl ester is widely used in the field of organic synthetic chemistry, providing an important synthetic building block for chemists to construct diverse organic molecular structures.
In this compound, both chlorine atoms and isothiocyanate groups are active chemically. Chlorine atoms can participate in nucleophilic substitution reactions due to their electronegativity and atomic radius. Nucleophilic testers can attack the benzene ring carbon atoms attached to chlorine, causing the chlorine atoms to leave, thereby forming new carbon-nucleophilic bonds. This reaction is often used to introduce various functional groups to construct more complex organic molecular structures.
The isothiocyanate group (-NCS) also exhibits active chemical properties. Its nitrogen atom and sulfur atom both contain lone pair electrons, which can react with nucleophilic reagents as electrophilic reagents. It is particularly common to undergo nucleophilic addition reactions with compounds containing active hydrogen, such as alcohols and amines. When reacting with alcohols, the hydroxyl hydrogen of alcohols attacks the carbon atoms of isothiocyanate groups to form carbamates; when reacting with amines, thioureas are formed. Such reactions are widely used in the fields of drug synthesis, pesticide preparation, and materials science, providing an effective way to synthesize compounds with specific biological activities or material properties.
Furthermore, the benzene ring structure of 1-chloro-4-isothiocyanate gives it a certain stability and conjugation effect. The conjugation system of benzene ring can affect the electron cloud distribution of the substituent group, which in turn affects its chemical reaction activity. For example, the electronic effect of chlorine atoms and isothiocyanate groups can change the electron cloud density of carbon atoms at different positions on the benzene ring, resulting in nucleophilic substitution or electrophilic substitution reactions with regioselectivity.
Due to its active chemical properties, 1-chloro-4-isothiocyanate phenyl ester is widely used in the field of organic synthetic chemistry, providing an important synthetic building block for chemists to construct diverse organic molecular structures.
What are the common uses of 1-chloro-4-isothiocyanatobenzene?
1-Chloro-4-isothiocyanate benzene has three common uses. First, it is an important raw material in the field of organic synthesis. The chlorine atom and isothiocyanate in its molecule have high reactivity. Chlorine atoms can be nucleophilic substitutions, and can react with many nucleophilic reagents, such as alcohols, amines, etc., to derive rich compounds. Isothiocyanate is also very active, and can form thiourea derivatives with substances containing active hydrogen, such as phenols and amines, which is very useful in the creation of new drugs, pesticides and functional materials.
Second, it also has its application in the field of materials science. With appropriate reactions, it can be introduced into the structure of polymer materials. For example, if it is copolymerized with polymer monomers, it can give polymer materials new properties. Because it contains heteroatoms such as sulfur and nitrogen, it can improve the thermal stability and mechanical properties of materials, or even endow it with special optical and electrical properties. It has great potential in the preparation of high-performance engineering plastics, coatings and fibers.
Third, in the field of medicinal chemistry, its contribution cannot be ignored. With this as a starting material, through a series of reaction steps, many bioactive molecules can be constructed. The derived compounds may have affinity and activity to specific biological targets, and can be used to develop new therapeutic drugs. For example, for some disease-related enzymes or receptors, design and synthesize ligands that match them, opening up new paths for drug research and development.
In summary, 1-chloro-4-isothiocyanate benzene is an indispensable and important substance in many fields such as organic synthesis, materials science and medicinal chemistry, and has great contributions to promoting progress and development in various fields.
Second, it also has its application in the field of materials science. With appropriate reactions, it can be introduced into the structure of polymer materials. For example, if it is copolymerized with polymer monomers, it can give polymer materials new properties. Because it contains heteroatoms such as sulfur and nitrogen, it can improve the thermal stability and mechanical properties of materials, or even endow it with special optical and electrical properties. It has great potential in the preparation of high-performance engineering plastics, coatings and fibers.
Third, in the field of medicinal chemistry, its contribution cannot be ignored. With this as a starting material, through a series of reaction steps, many bioactive molecules can be constructed. The derived compounds may have affinity and activity to specific biological targets, and can be used to develop new therapeutic drugs. For example, for some disease-related enzymes or receptors, design and synthesize ligands that match them, opening up new paths for drug research and development.
In summary, 1-chloro-4-isothiocyanate benzene is an indispensable and important substance in many fields such as organic synthesis, materials science and medicinal chemistry, and has great contributions to promoting progress and development in various fields.
What are 1-chloro-4-isothiocyanatobenzene synthesis methods?
The synthesis method of 1-chloro-4-isothiocyanate benzene has been known for a long time and is described in detail below.
First, p-chloroaniline is used as the starting material. First, it is reacted with sulfur phosgene in a suitable solvent. This reaction needs to be carried out under low temperature and inert gas protection. The solvent can be selected from inert organic solvents such as dichloromethane, which can provide a stable environment for the reaction. The molar ratio of p-chloroaniline to sulfur phosgene needs to be precisely controlled, generally about 1:1.2. This ratio can make the reaction sufficient and reduce the occurrence of side reactions. During the reaction, sulfur phosgene is slowly added dropwise to the solution of p-chloroaniline, and stirred at a constant speed with a magnetic stirrer to promote the full contact of the reactants. The reaction temperature is maintained between 0-5 ° C and the reaction continues for about 2-3 hours to obtain 1-chloro-4-isothiocyanate benzene. This method is relatively simple and the yield is considerable.
Second, p-chlorobenzamide is used as the starting material. First, it is reacted with phosphorus pentasulfide in an alkaline solvent such as pyridine. Pyridine can be used as both a solvent and neutralize the acid substances generated by the reaction to ensure the smooth progress of the reaction. The molar ratio of p-chlorobenzamide to phosphorus pentasulfide is preferably controlled at 1:1.5. The reaction needs to be heated to 100-120 ° C and maintained at this temperature for 4-6 hours. After the reaction, the target product 1-chloro-4-isothiocyanate synbenzene can be obtained through a series of post-processing operations such as cooling, extraction and distillation. Although this method is a little complicated, the raw materials are relatively easy to obtain and are also commonly used for synthesis.
Third, p-chlorobromobenzene is used as the raw material. First, it is reacted with magnesium chips in anhydrous ether to make Grignard's reagent. This process needs to be absolutely anhydrous, otherwise Grignard's reagent is easily decomposed. The resulting Grignard reagent is then reacted with carbon disulfide, and then cyanogen halides, such as cyanogen chloride, are added. The reaction conditions of each step need to be strictly controlled, such as temperature, reactant ratio, etc. This synthesis route is more complicated and requires high operation, but it can be selected according to actual needs and raw material conditions.
First, p-chloroaniline is used as the starting material. First, it is reacted with sulfur phosgene in a suitable solvent. This reaction needs to be carried out under low temperature and inert gas protection. The solvent can be selected from inert organic solvents such as dichloromethane, which can provide a stable environment for the reaction. The molar ratio of p-chloroaniline to sulfur phosgene needs to be precisely controlled, generally about 1:1.2. This ratio can make the reaction sufficient and reduce the occurrence of side reactions. During the reaction, sulfur phosgene is slowly added dropwise to the solution of p-chloroaniline, and stirred at a constant speed with a magnetic stirrer to promote the full contact of the reactants. The reaction temperature is maintained between 0-5 ° C and the reaction continues for about 2-3 hours to obtain 1-chloro-4-isothiocyanate benzene. This method is relatively simple and the yield is considerable.
Second, p-chlorobenzamide is used as the starting material. First, it is reacted with phosphorus pentasulfide in an alkaline solvent such as pyridine. Pyridine can be used as both a solvent and neutralize the acid substances generated by the reaction to ensure the smooth progress of the reaction. The molar ratio of p-chlorobenzamide to phosphorus pentasulfide is preferably controlled at 1:1.5. The reaction needs to be heated to 100-120 ° C and maintained at this temperature for 4-6 hours. After the reaction, the target product 1-chloro-4-isothiocyanate synbenzene can be obtained through a series of post-processing operations such as cooling, extraction and distillation. Although this method is a little complicated, the raw materials are relatively easy to obtain and are also commonly used for synthesis.
Third, p-chlorobromobenzene is used as the raw material. First, it is reacted with magnesium chips in anhydrous ether to make Grignard's reagent. This process needs to be absolutely anhydrous, otherwise Grignard's reagent is easily decomposed. The resulting Grignard reagent is then reacted with carbon disulfide, and then cyanogen halides, such as cyanogen chloride, are added. The reaction conditions of each step need to be strictly controlled, such as temperature, reactant ratio, etc. This synthesis route is more complicated and requires high operation, but it can be selected according to actual needs and raw material conditions.
1-chloro-4-isothiocyanatobenzene What are the precautions during storage and transportation?
1-Chloro-4-isothiocyanate is a chemical substance. During storage and transportation, more attention should be paid to ensure its safety and safety.
First word storage. This substance should be placed in a cool, dry and well-ventilated place. Because of the cool environment, it can reduce its change due to heat, dry it can prevent it from moisture and qualitative change, and good ventilation can prevent the accumulation of harmful gas. And it must be kept away from fire and heat sources. Open flames and hot topics can cause harm, causing combustion or even explosion. Furthermore, it should be stored in isolation from oxidants, acids, alkalis, etc. Cover 1-chloro-4-isothiocyanate phenyl ester is chemically active, and in contact with such substances, it is easy to cause violent reactions, which is exogenous. The storage place should also be equipped with suitable materials to contain leaks, so as to prevent accidents and dispose of them quickly.
As for transportation, there are also many precautions. Before transportation, make sure that the packaging is complete and the loading is secure. The packaging must be solid to withstand bumps and collisions during transportation and avoid leakage. Vehicles used during transportation should be driven according to the specified route, and should not be close to densely populated areas and residential areas. During transportation, pay close attention to environmental factors such as temperature and humidity. If there is any abnormality, deal with it as soon as possible. The escort personnel also need to be familiar with the characteristics of this object and the emergency response method. In case of leakage, they can deal with it quickly according to the procedures to reduce the harm. And the transportation tools should be thoroughly cleaned and cleaned before and after loading and unloading, and it is strictly forbidden to mix impurities, so as not to affect the quality of 1-chloro-4-isothiocyanate phenyl ester and prevent dangerous reactions.
First word storage. This substance should be placed in a cool, dry and well-ventilated place. Because of the cool environment, it can reduce its change due to heat, dry it can prevent it from moisture and qualitative change, and good ventilation can prevent the accumulation of harmful gas. And it must be kept away from fire and heat sources. Open flames and hot topics can cause harm, causing combustion or even explosion. Furthermore, it should be stored in isolation from oxidants, acids, alkalis, etc. Cover 1-chloro-4-isothiocyanate phenyl ester is chemically active, and in contact with such substances, it is easy to cause violent reactions, which is exogenous. The storage place should also be equipped with suitable materials to contain leaks, so as to prevent accidents and dispose of them quickly.
As for transportation, there are also many precautions. Before transportation, make sure that the packaging is complete and the loading is secure. The packaging must be solid to withstand bumps and collisions during transportation and avoid leakage. Vehicles used during transportation should be driven according to the specified route, and should not be close to densely populated areas and residential areas. During transportation, pay close attention to environmental factors such as temperature and humidity. If there is any abnormality, deal with it as soon as possible. The escort personnel also need to be familiar with the characteristics of this object and the emergency response method. In case of leakage, they can deal with it quickly according to the procedures to reduce the harm. And the transportation tools should be thoroughly cleaned and cleaned before and after loading and unloading, and it is strictly forbidden to mix impurities, so as not to affect the quality of 1-chloro-4-isothiocyanate phenyl ester and prevent dangerous reactions.
1-chloro-4-isothiocyanatobenzene impact on the environment and human health
1-Chloro-4-isothiocyanate is also an organic compound. The impact of this substance on the environment and human health cannot be ignored.
In terms of the environment, it has certain toxicity. If released into the atmosphere or diffused with the airflow, it will pollute the air, causing poor air quality, and can participate in photochemical reactions, resulting in secondary pollutants, which is even more harmful. If it enters the water body, it can cause water quality to deteriorate and aquatic organisms to suffer. Or adsorbed on soil particles, affecting soil microbial activity, destroying soil ecological balance, and hindering plant growth.
As for the human body, its harm is significant. Inhalation through the respiratory tract can stab the mucosa of the respiratory tract, causing cough, asthma, breathing difficulties and other diseases. If it is contained in the environment for a long time, it may increase the risk of respiratory diseases. If it is exposed to the skin, it can cause skin allergies, redness, swelling, itching, and even corrode the skin. If eaten by mistake, it can damage the digestive system, cause nausea, vomiting, abdominal pain, diarrhea, etc. And this substance may be potentially carcinogenic. Long-term exposure will cause cell abnormalities and threaten life and health.
Therefore, in the production, use and disposal of phenyl 1-chloro-4-isothiocyanate, proper protection and control measures should be taken with caution to reduce its harm to the environment and human health.
In terms of the environment, it has certain toxicity. If released into the atmosphere or diffused with the airflow, it will pollute the air, causing poor air quality, and can participate in photochemical reactions, resulting in secondary pollutants, which is even more harmful. If it enters the water body, it can cause water quality to deteriorate and aquatic organisms to suffer. Or adsorbed on soil particles, affecting soil microbial activity, destroying soil ecological balance, and hindering plant growth.
As for the human body, its harm is significant. Inhalation through the respiratory tract can stab the mucosa of the respiratory tract, causing cough, asthma, breathing difficulties and other diseases. If it is contained in the environment for a long time, it may increase the risk of respiratory diseases. If it is exposed to the skin, it can cause skin allergies, redness, swelling, itching, and even corrode the skin. If eaten by mistake, it can damage the digestive system, cause nausea, vomiting, abdominal pain, diarrhea, etc. And this substance may be potentially carcinogenic. Long-term exposure will cause cell abnormalities and threaten life and health.
Therefore, in the production, use and disposal of phenyl 1-chloro-4-isothiocyanate, proper protection and control measures should be taken with caution to reduce its harm to the environment and human health.
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