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4-Tert-Butyl-1-Chloro-2-Nitrobenzene
Linshang Chemical
|
HS Code |
825552 |
| Chemical Formula | C10H12ClNO2 |
| Molar Mass | 213.66 g/mol |
| Appearance | Solid (usually a yellow - colored solid) |
| Boiling Point | Approximately 275 - 280 °C (estimated based on similar compounds) |
| Melting Point | Around 50 - 55 °C (approximate value) |
| Solubility In Water | Insoluble |
| Solubility In Organic Solvents | Soluble in common organic solvents like benzene, toluene, dichloromethane |
| Density | Estimated around 1.1 - 1.2 g/cm³ |
| Vapor Pressure | Low at room temperature |
| Flash Point | Relatively high, estimated > 100 °C |
| Stability | Stable under normal conditions, but may react with strong oxidizing agents |
As an accredited 4-Tert-Butyl-1-Chloro-2-Nitrobenzene factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | 500g of 4 - tert - butyl - 1 - chloro - 2 - nitrobenzene packaged in a sealed, chemical - resistant bottle. |
| Storage | 4 - tert - butyl - 1 - chloro - 2 - nitrobenzene should be stored in a cool, dry, well - ventilated area, away from heat sources and open flames. Keep it in a tightly sealed container to prevent vapor leakage. Store it separately from oxidizing agents, reducing agents, and incompatible substances to avoid potential chemical reactions. |
| Shipping | 4 - tert - butyl - 1 - chloro - 2 - nitrobenzene is shipped in tightly sealed, corrosion - resistant containers. It's transported under regulated conditions to prevent spills, as it's a potentially hazardous chemical, following strict safety and environmental protocols. |
Competitive 4-Tert-Butyl-1-Chloro-2-Nitrobenzene prices that fit your budget—flexible terms and customized quotes for every order.
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What is the chemical structure of 4-tert-butyl-1-chloro-2-nitrobenzene?
The chemical structure of 4-tert-butyl-1-chloro-2-nitrobenzene is analyzed as follows.
The benzene ring is the core structure of this compound. It is a planar hexagonal ring structure with a unique conjugated π electronic system and is highly stable.
On the benzene ring, there are three substituents connected. One is tert-butyl, that is, -C (CH 🥰). This group is connected by one carbon atom and three methyl groups, and is connected to the fourth carbon of the benzene ring by a single bond. Tert-butyl is a large group. Due to its significant steric hindrance effect, it has a significant impact on the electron cloud distribution and chemical reactivity of the benzene ring. The electron cloud density of the benzene ring increases, especially in the ortho and para-position.
The second is a chlorine atom, which is connected to the first carbon of the benzene ring by a single bond. The chlorine atom has a certain electronegativity and is an electron-absorbing group, which will reduce the electron cloud density of the benzene ring, and its induction effect is greater than the conjugation effect, so that the degree of reduction of electron cloud density of the ortho and para-position of the benzene ring is relatively small relative to the meta-position, thus affecting the orientation of the electrophilic substitution reaction on the benzene ring.
The third is a nitro group, that is, -NO -2, which is connected to the second carbon of the benzene ring. The nitro group is a strong electron-absorbing group. Through induction and conjugation effects, the electron cloud density of the benzene ring is greatly reduced, the electrophilic substitution activity of the benzene ring is greatly reduced, and the electron cloud density of the benzene ring is particularly significant, making the meta-position relatively become the area with high electron cloud density, so the electrophilic substitution reaction easily occurs in the meta-position.
These three substituents are connected to different positions of the benzene ring and affect each other, jointly determining the chemical properties and reactivity of 4-tert-butyl-1-chloro-2-nitrobenzene.
The benzene ring is the core structure of this compound. It is a planar hexagonal ring structure with a unique conjugated π electronic system and is highly stable.
On the benzene ring, there are three substituents connected. One is tert-butyl, that is, -C (CH 🥰). This group is connected by one carbon atom and three methyl groups, and is connected to the fourth carbon of the benzene ring by a single bond. Tert-butyl is a large group. Due to its significant steric hindrance effect, it has a significant impact on the electron cloud distribution and chemical reactivity of the benzene ring. The electron cloud density of the benzene ring increases, especially in the ortho and para-position.
The second is a chlorine atom, which is connected to the first carbon of the benzene ring by a single bond. The chlorine atom has a certain electronegativity and is an electron-absorbing group, which will reduce the electron cloud density of the benzene ring, and its induction effect is greater than the conjugation effect, so that the degree of reduction of electron cloud density of the ortho and para-position of the benzene ring is relatively small relative to the meta-position, thus affecting the orientation of the electrophilic substitution reaction on the benzene ring.
The third is a nitro group, that is, -NO -2, which is connected to the second carbon of the benzene ring. The nitro group is a strong electron-absorbing group. Through induction and conjugation effects, the electron cloud density of the benzene ring is greatly reduced, the electrophilic substitution activity of the benzene ring is greatly reduced, and the electron cloud density of the benzene ring is particularly significant, making the meta-position relatively become the area with high electron cloud density, so the electrophilic substitution reaction easily occurs in the meta-position.
These three substituents are connected to different positions of the benzene ring and affect each other, jointly determining the chemical properties and reactivity of 4-tert-butyl-1-chloro-2-nitrobenzene.
What are the main uses of 4-tert-butyl-1-chloro-2-nitrobenzene?
4-tert-butyl-1-chloro-2-nitrobenzene, an organic compound, has a wide range of uses in the field of chemical synthesis.
First, it is of great significance in the synthesis of medicine. It can be used as a key intermediate for the preparation of a variety of specific drugs. For example, some antibacterial and antiviral drugs with specific therapeutic effects, in the synthesis process, 4-tert-butyl-1-chloro-2-nitrobenzene can build the key structure of drug molecules through a series of precise chemical reactions. After subsequent modification and transformation, it can finally generate pharmaceutical ingredients with specific pharmacological activities, escorting human health.
Second, in the field of pesticides, it also occupies an important position. It can be used as a starting material to synthesize various high-efficiency pesticides through a series of reactions. Like some pesticides, fungicides, etc., the pesticides synthesized by 4-tert-butyl-1-chloro-2-nitrobenzene have a significant effect on the control of crop diseases and pests, which can help improve crop yield and quality, and ensure the stable development of agriculture.
Furthermore, in the field of materials science, it also plays a unique role. It can be used to synthesize polymer materials with specific properties. For example, polymerization with other monomers imparts special properties such as excellent heat resistance and chemical corrosion resistance to polymer materials, thus meeting the strict requirements of material properties in different industrial scenarios. It also has potential applications in high-end fields such as aerospace and automobile manufacturing.
In addition, 4-tert-butyl-1-chloro-2-nitrobenzene is often used as a model compound in organic synthetic chemistry research. Researchers use the study of various chemical reactions to explore new synthesis methods and reaction mechanisms, providing theoretical basis and practical experience for the development of organic synthetic chemistry, and promoting the continuous development and innovation of this field.
First, it is of great significance in the synthesis of medicine. It can be used as a key intermediate for the preparation of a variety of specific drugs. For example, some antibacterial and antiviral drugs with specific therapeutic effects, in the synthesis process, 4-tert-butyl-1-chloro-2-nitrobenzene can build the key structure of drug molecules through a series of precise chemical reactions. After subsequent modification and transformation, it can finally generate pharmaceutical ingredients with specific pharmacological activities, escorting human health.
Second, in the field of pesticides, it also occupies an important position. It can be used as a starting material to synthesize various high-efficiency pesticides through a series of reactions. Like some pesticides, fungicides, etc., the pesticides synthesized by 4-tert-butyl-1-chloro-2-nitrobenzene have a significant effect on the control of crop diseases and pests, which can help improve crop yield and quality, and ensure the stable development of agriculture.
Furthermore, in the field of materials science, it also plays a unique role. It can be used to synthesize polymer materials with specific properties. For example, polymerization with other monomers imparts special properties such as excellent heat resistance and chemical corrosion resistance to polymer materials, thus meeting the strict requirements of material properties in different industrial scenarios. It also has potential applications in high-end fields such as aerospace and automobile manufacturing.
In addition, 4-tert-butyl-1-chloro-2-nitrobenzene is often used as a model compound in organic synthetic chemistry research. Researchers use the study of various chemical reactions to explore new synthesis methods and reaction mechanisms, providing theoretical basis and practical experience for the development of organic synthetic chemistry, and promoting the continuous development and innovation of this field.
What are the physical properties of 4-tert-butyl-1-chloro-2-nitrobenzene?
4-Tert-butyl-1-chloro-2-nitrobenzene is one of the organic compounds. Its physical properties are worth exploring.
First of all, its physical state and color are mostly solid at room temperature and pressure, and the color is either light yellow or nearly colorless. The characteristics of this color state are due to the interaction between atoms and chemical bonds in the molecular structure.
Melting point and boiling point, the melting point is about a specific numerical range. Due to the force between molecules, the van der Waals force and hydrogen bonds between molecules are constrained by each other, so that the molecules can obtain enough energy at a certain temperature to break through the lattice binding and melt. The boiling point is also determined by the molecular structure of the energy required for its gasification, and its value is in the corresponding range, which is related to the relative molecular weight and polarity of the molecule.
Furthermore, when it comes to solubility, in water, its solubility is very small, and it is difficult to form an effective interaction with water molecules because of its weak molecular polarity. However, organic solvents, such as common ethanol, ether, dichloromethane, etc., have relatively high solubility. Due to the "similar miscibility" principle, the molecular structure of organic solvents is similar to 4-tert-butyl-1-chloro-2-nitrobenzene, which can form a good intermolecular force and be miscible.
Density is also one of its physical properties, slightly heavier than water, which is determined by the type of atoms in its molecules and the degree of close arrangement. The relative mass of atoms in the molecule and the spatial arrangement make its unit volume mass larger.
In addition, its volatility is relatively low, the intermolecular force is strong, and it is not easy to escape to the gas phase. It can be stably retained in the solid or liquid phase at room temperature.
The physical properties of 4-tert-butyl-1-chloro-2-nitrobenzene are closely related to its unique molecular structure, which is the basis for exploring its chemical behavior and applications.
First of all, its physical state and color are mostly solid at room temperature and pressure, and the color is either light yellow or nearly colorless. The characteristics of this color state are due to the interaction between atoms and chemical bonds in the molecular structure.
Melting point and boiling point, the melting point is about a specific numerical range. Due to the force between molecules, the van der Waals force and hydrogen bonds between molecules are constrained by each other, so that the molecules can obtain enough energy at a certain temperature to break through the lattice binding and melt. The boiling point is also determined by the molecular structure of the energy required for its gasification, and its value is in the corresponding range, which is related to the relative molecular weight and polarity of the molecule.
Furthermore, when it comes to solubility, in water, its solubility is very small, and it is difficult to form an effective interaction with water molecules because of its weak molecular polarity. However, organic solvents, such as common ethanol, ether, dichloromethane, etc., have relatively high solubility. Due to the "similar miscibility" principle, the molecular structure of organic solvents is similar to 4-tert-butyl-1-chloro-2-nitrobenzene, which can form a good intermolecular force and be miscible.
Density is also one of its physical properties, slightly heavier than water, which is determined by the type of atoms in its molecules and the degree of close arrangement. The relative mass of atoms in the molecule and the spatial arrangement make its unit volume mass larger.
In addition, its volatility is relatively low, the intermolecular force is strong, and it is not easy to escape to the gas phase. It can be stably retained in the solid or liquid phase at room temperature.
The physical properties of 4-tert-butyl-1-chloro-2-nitrobenzene are closely related to its unique molecular structure, which is the basis for exploring its chemical behavior and applications.
What are 4-tert-butyl-1-chloro-2-nitrobenzene synthesis methods?
To prepare 4-tert-butyl-1-chloro-2-nitrobenzene, there are two ways to synthesize it. The first is to start with tert-butyl benzene. First, the reaction of tert-butyl benzene and chlorine under the catalysis of ferric chloride is an electrophilic substitution reaction. The chlorine atom, because the tert-butyl is an ortho-para-site group, adds more ortho-sites or para-sites of tert-butyl to obtain 4-tert-butyl chlorobenzene as the main product. Then 4-tert-butyl chlorobenzene is heated with mixed acid (a mixture of nitric acid and sulfuric acid) to carry out nitrification. 4-tert-butyl-1-chloro-2-nitrobenzene is obtained by the joint influence of the chlorine atom and the tert-butyl group into the ortho-position and the tert-butyl interposition of the chlorine atom, and then 4-tert-butyl-1-chloro-2-nitrobenzene is obtained.
Second, chlorobenzene can be used as the starting point. Chlorobenzene is alkylated with tert-butyl alkylation reagents, such as the combination of tert-butyl alcohol and concentrated sulfuric acid, or chloro-tert-butane and anhydrous aluminum trichloride. The chlorine atom is the ortho- Then 4-tert-butyl-1-chloro-2-nitrobenzene can be obtained by nitrating 4-tert-butyl-1-chloro-2-nitrobenzene with mixed acid as before. These two are common methods for synthesizing 4-tert-butyl-1-chloro-2-nitrobenzene.
Second, chlorobenzene can be used as the starting point. Chlorobenzene is alkylated with tert-butyl alkylation reagents, such as the combination of tert-butyl alcohol and concentrated sulfuric acid, or chloro-tert-butane and anhydrous aluminum trichloride. The chlorine atom is the ortho- Then 4-tert-butyl-1-chloro-2-nitrobenzene can be obtained by nitrating 4-tert-butyl-1-chloro-2-nitrobenzene with mixed acid as before. These two are common methods for synthesizing 4-tert-butyl-1-chloro-2-nitrobenzene.
4-tert-butyl-1-chloro-2-nitrobenzene what are the precautions during use?
4-Tert-butyl-1-chloro-2-nitrobenzene is a commonly used raw material in organic synthesis. During use, many aspects need to be paid attention to.
First safety protection. This compound is toxic and irritating, and can cause damage to the skin, eyes and respiratory tract. When taking it, be sure to wear suitable protective equipment, such as laboratory clothes, gloves and protective glasses. The operation should be carried out in a well-ventilated environment, preferably in a fume hood to prevent inhalation of its volatile gases. In case of accidental contact, rinse with plenty of water immediately and seek medical treatment according to the specific situation.
The second time is the storage condition. Store it in a cool, dry and ventilated place, away from fire and heat sources. Because it is more sensitive to light and heat, light should be avoided to prevent decomposition and deterioration. At the same time, it should be stored separately from oxidants, acids, bases, etc., and must not be mixed to prevent dangerous chemical reactions.
Another is chemical properties. In 4-tert-butyl-1-chloro-2-nitrobenzene, both chlorine atoms and nitro groups are active groups and can participate in a variety of chemical reactions. When designing the reaction path, the reactivity and selectivity of each group must be fully considered. For example, nitro groups can be reduced to amino groups, and chlorine atoms can undergo nucleophilic substitution reactions. The control of the reaction conditions is extremely critical, and factors such as temperature, solvent, and catalyst will all affect the rate of the reaction and the purity of the product.
In addition, post-reaction treatment cannot be ignored. After the reaction, the separation and purification of the product is very important. According to its physical and chemical properties, suitable methods such as extraction, distillation, and recrystallization can be selected for purification. At the same time, the waste generated by the reaction should be properly disposed of in accordance with relevant regulations, and must not be discharged at will to avoid pollution to the environment.
In conclusion, when using 4-tert-butyl-1-chloro-2-nitrobenzene, it is necessary to fully understand its properties, strictly follow the operating procedures, and pay attention to safety protection, storage conditions, reaction control, and post-processing in order to ensure the smooth progress of the experiment or production.
First safety protection. This compound is toxic and irritating, and can cause damage to the skin, eyes and respiratory tract. When taking it, be sure to wear suitable protective equipment, such as laboratory clothes, gloves and protective glasses. The operation should be carried out in a well-ventilated environment, preferably in a fume hood to prevent inhalation of its volatile gases. In case of accidental contact, rinse with plenty of water immediately and seek medical treatment according to the specific situation.
The second time is the storage condition. Store it in a cool, dry and ventilated place, away from fire and heat sources. Because it is more sensitive to light and heat, light should be avoided to prevent decomposition and deterioration. At the same time, it should be stored separately from oxidants, acids, bases, etc., and must not be mixed to prevent dangerous chemical reactions.
Another is chemical properties. In 4-tert-butyl-1-chloro-2-nitrobenzene, both chlorine atoms and nitro groups are active groups and can participate in a variety of chemical reactions. When designing the reaction path, the reactivity and selectivity of each group must be fully considered. For example, nitro groups can be reduced to amino groups, and chlorine atoms can undergo nucleophilic substitution reactions. The control of the reaction conditions is extremely critical, and factors such as temperature, solvent, and catalyst will all affect the rate of the reaction and the purity of the product.
In addition, post-reaction treatment cannot be ignored. After the reaction, the separation and purification of the product is very important. According to its physical and chemical properties, suitable methods such as extraction, distillation, and recrystallization can be selected for purification. At the same time, the waste generated by the reaction should be properly disposed of in accordance with relevant regulations, and must not be discharged at will to avoid pollution to the environment.
In conclusion, when using 4-tert-butyl-1-chloro-2-nitrobenzene, it is necessary to fully understand its properties, strictly follow the operating procedures, and pay attention to safety protection, storage conditions, reaction control, and post-processing in order to ensure the smooth progress of the experiment or production.
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