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1-Bromo-2,3-Dichloro-5-(Tert-Butyl)Benzene
Linshang Chemical
|
HS Code |
257332 |
| Chemical Formula | C10H11BrCl2 |
| Molecular Weight | 279.999 g/mol |
| Appearance | Solid (predicted) |
| Boiling Point | 296.69°C at 760 mmHg (predicted) |
| Melting Point | 45 - 49 °C |
| Density | 1.468 g/cm³ (predicted) |
| Vapor Pressure | 0.000355 mmHg at 25°C (predicted) |
| Logp | 5.31 (predicted) |
| Flash Point | 133.2°C (predicted) |
| Solubility | Insoluble in water (predicted) |
As an accredited 1-Bromo-2,3-Dichloro-5-(Tert-Butyl)Benzene factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | 100g of 1 - bromo - 2,3 - dichloro - 5 - (tert - butyl)benzene in a sealed chemical - grade bottle. |
| Storage | 1 - bromo - 2,3 - dichloro - 5 - (tert - butyl)benzene should be stored in a cool, dry, well - ventilated area away from sources of heat, ignition, and strong oxidizing agents. Keep it in a tightly sealed container, preferably made of corrosion - resistant material. Label the container clearly to avoid misidentification. Store it separately from incompatible substances to prevent potential reactions. |
| Shipping | 1 - bromo - 2,3 - dichloro - 5 - (tert - butyl)benzene is shipped in tightly sealed, corrosion - resistant containers. Shipment follows strict chemical transport regulations, ensuring safe handling during transit to prevent spills and exposure. |
Competitive 1-Bromo-2,3-Dichloro-5-(Tert-Butyl)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 - bromo - 2,3 - dichloro - 5 - (tert - butyl) benzene?
1 + -Bromo-2,3-dichloro-5- (tert-butyl) benzene, this is an organic compound. Its chemical properties are quite rich.
Let's talk about its halogen atom properties first. Both bromine and chlorine atoms are quite active. Bromine atoms can play important roles in nucleophilic substitution reactions. In the case of strong nucleophiles, such as sodium alcohols and amines, the nucleophilic part of the nucleophilic reagent will attack the carbon atom attached to the bromine, and the bromine ion will leave as a leaving group, thereby generating new substitution products. For example, when reacted with sodium ethanol, corresponding ether compounds will be formed. The chlorine atom is also not to be underestimated. Although its activity is slightly inferior to that of the bromine atom, it can also participate in the nucleophilic substitution reaction under suitable conditions. If the reaction conditions are changed, such as raising the temperature and choosing a more active nucleophilic reagent, the chlorine atom can also be replaced, thus providing the possibility for the synthesis of diverse organic compounds.
Then consider the influence of its tert-butyl group. Tert-butyl is a large substituent and has a significant spatial hindrance effect. This spatial hindrance affects the reactivity and selectivity of the compound. For example, during the electrophilic substitution reaction, due to the spatial hindrance of tert-butyl, the electrophilic reagent is more inclined to attack the position far away from the tert-butyl group, which affects the regioselectivity of the reaction. In addition, the electron-induced effect of tert-butyl increases the electron cloud density of the benzene ring, which makes the benzene ring more prone to electrophilic substitution reactions, which improves the reactivity compared to benzene itself.
In addition, the benzene ring of the compound, as an aromatic system, has aromatic properties. This makes it stable to a certain extent, not prone to addition reactions, but more prone to electrophilic substitution reactions. Common electrophilic substitution reactions such as halogenation, nitration, and sulfonation can be carried out. In the halogenation reaction, the hydrogen atom on the benzene ring can be further replaced by a halogen atom; in the nitration reaction, the nitro group will replace the hydrogen atom on the benzene ring; in the sulfonation reaction, the sulfonic acid group will also be connected to the benzene ring.
Let's talk about its halogen atom properties first. Both bromine and chlorine atoms are quite active. Bromine atoms can play important roles in nucleophilic substitution reactions. In the case of strong nucleophiles, such as sodium alcohols and amines, the nucleophilic part of the nucleophilic reagent will attack the carbon atom attached to the bromine, and the bromine ion will leave as a leaving group, thereby generating new substitution products. For example, when reacted with sodium ethanol, corresponding ether compounds will be formed. The chlorine atom is also not to be underestimated. Although its activity is slightly inferior to that of the bromine atom, it can also participate in the nucleophilic substitution reaction under suitable conditions. If the reaction conditions are changed, such as raising the temperature and choosing a more active nucleophilic reagent, the chlorine atom can also be replaced, thus providing the possibility for the synthesis of diverse organic compounds.
Then consider the influence of its tert-butyl group. Tert-butyl is a large substituent and has a significant spatial hindrance effect. This spatial hindrance affects the reactivity and selectivity of the compound. For example, during the electrophilic substitution reaction, due to the spatial hindrance of tert-butyl, the electrophilic reagent is more inclined to attack the position far away from the tert-butyl group, which affects the regioselectivity of the reaction. In addition, the electron-induced effect of tert-butyl increases the electron cloud density of the benzene ring, which makes the benzene ring more prone to electrophilic substitution reactions, which improves the reactivity compared to benzene itself.
In addition, the benzene ring of the compound, as an aromatic system, has aromatic properties. This makes it stable to a certain extent, not prone to addition reactions, but more prone to electrophilic substitution reactions. Common electrophilic substitution reactions such as halogenation, nitration, and sulfonation can be carried out. In the halogenation reaction, the hydrogen atom on the benzene ring can be further replaced by a halogen atom; in the nitration reaction, the nitro group will replace the hydrogen atom on the benzene ring; in the sulfonation reaction, the sulfonic acid group will also be connected to the benzene ring.
What is the synthesis of 1 - bromo - 2,3 - dichloro - 5 - (tert - butyl) benzene?
To prepare 1-bromo-2,3-dichloro-5- (tert-butyl) benzene, the method of synthesis should be carried out with reasonable steps and suitable reagents.
The first derivative of benzene can be found as the starting material, and this raw material may have tert-butyl. The cap tert-butyl can be introduced into the benzene ring by Fu-gram alkylation reaction. Tert-butyl benzene can be obtained by tert-butyl chloride and benzene under the catalysis of Lewis acid such as anhydrous aluminum trichloride.
Both tert-butyl benzene and chlorine atoms are introduced. The chlorination of tert-butyl benzene can be carried out by exposing it to a chlorine atmosphere with light or a suitable catalyst, such as iron powder or ferric trichloride. Because tert-butyl is an ortho-and para-localization group, chlorine atoms can be introduced in the ortho-position or para-position. By controlling the reaction conditions, such as the amount of chlorine, reaction temperature and time, chlorine atoms can be introduced mainly in the tert-butyl ortho-position to obtain 2-chloro-5- (tert-butyl) benzene.
Compound with chlorine gas and 2-chloro-5- (tert-butyl) benzene, and then the chlorination reaction is carried out. The catalyst of the previous method is still used, and 2,3-dichloro- At the end of
, bromine atoms are introduced. Bromine atoms can be substituted for hydrogen atoms at suitable positions on the benzene ring by liquid bromine and 2,3-dichloro-5- (tert-butyl) benzene under the catalysis of Lewis acid such as iron tribromide to obtain the target product 1-bromo-2,3-dichloro-5- (tert-butyl) benzene.
After each step of the reaction, suitable separation and purification methods, such as distillation, recrystallization, column chromatography, etc. should be used to remove impurities and obtain pure products, so that the synthesis process is smooth, and the yield and purity of the target product are ideal.
The first derivative of benzene can be found as the starting material, and this raw material may have tert-butyl. The cap tert-butyl can be introduced into the benzene ring by Fu-gram alkylation reaction. Tert-butyl benzene can be obtained by tert-butyl chloride and benzene under the catalysis of Lewis acid such as anhydrous aluminum trichloride.
Both tert-butyl benzene and chlorine atoms are introduced. The chlorination of tert-butyl benzene can be carried out by exposing it to a chlorine atmosphere with light or a suitable catalyst, such as iron powder or ferric trichloride. Because tert-butyl is an ortho-and para-localization group, chlorine atoms can be introduced in the ortho-position or para-position. By controlling the reaction conditions, such as the amount of chlorine, reaction temperature and time, chlorine atoms can be introduced mainly in the tert-butyl ortho-position to obtain 2-chloro-5- (tert-butyl) benzene.
Compound with chlorine gas and 2-chloro-5- (tert-butyl) benzene, and then the chlorination reaction is carried out. The catalyst of the previous method is still used, and 2,3-dichloro- At the end of
, bromine atoms are introduced. Bromine atoms can be substituted for hydrogen atoms at suitable positions on the benzene ring by liquid bromine and 2,3-dichloro-5- (tert-butyl) benzene under the catalysis of Lewis acid such as iron tribromide to obtain the target product 1-bromo-2,3-dichloro-5- (tert-butyl) benzene.
After each step of the reaction, suitable separation and purification methods, such as distillation, recrystallization, column chromatography, etc. should be used to remove impurities and obtain pure products, so that the synthesis process is smooth, and the yield and purity of the target product are ideal.
Where is 1 - bromo - 2,3 - dichloro - 5 - (tert - butyl) benzene used?
1 + -Bromo-2,3 -dichloro-5- (tert-butyl) benzene, this compound has applications in many fields.
In the field of pharmaceutical synthesis, it can be a key intermediate. Due to the unique structure of bromine, chlorine and tert-butyl in the molecule, it can be connected to specific functional groups through many chemical reactions, such as nucleophilic substitution, coupling reactions, etc., to construct complex molecular structures with specific biological activities for the creation of new drugs.
In the field of materials science, it can participate in the preparation of organic materials with special properties. For example, by rational molecular design and reaction, integrating it into a polymer system, with its structural characteristics, may endow the material with unique electrical and optical properties, such as application in the preparation of organic semiconductor materials and optoelectronic functional materials, and then for the development of electronic devices and optoelectronic devices.
In the field of pesticide chemistry, it also has potential value. In view of the existence of halogen atoms and tert-butyl groups, it may endow compounds with certain biological activities, such as insecticidal and bactericidal activities. After subsequent structural optimization and activity testing, it is expected to develop new pesticide products with high efficiency, low toxicity and environmental friendliness, serving agricultural pest control.
In addition, in the synthesis of fine chemical products, 1 + -bromo-2,3-dichloro-5- (tert-butyl) benzene is used as a basic raw material to synthesize fine chemicals with special functions, such as special fragrances and additives, through various chemical reaction paths, to meet the needs of different industrial and consumer markets.
In the field of pharmaceutical synthesis, it can be a key intermediate. Due to the unique structure of bromine, chlorine and tert-butyl in the molecule, it can be connected to specific functional groups through many chemical reactions, such as nucleophilic substitution, coupling reactions, etc., to construct complex molecular structures with specific biological activities for the creation of new drugs.
In the field of materials science, it can participate in the preparation of organic materials with special properties. For example, by rational molecular design and reaction, integrating it into a polymer system, with its structural characteristics, may endow the material with unique electrical and optical properties, such as application in the preparation of organic semiconductor materials and optoelectronic functional materials, and then for the development of electronic devices and optoelectronic devices.
In the field of pesticide chemistry, it also has potential value. In view of the existence of halogen atoms and tert-butyl groups, it may endow compounds with certain biological activities, such as insecticidal and bactericidal activities. After subsequent structural optimization and activity testing, it is expected to develop new pesticide products with high efficiency, low toxicity and environmental friendliness, serving agricultural pest control.
In addition, in the synthesis of fine chemical products, 1 + -bromo-2,3-dichloro-5- (tert-butyl) benzene is used as a basic raw material to synthesize fine chemicals with special functions, such as special fragrances and additives, through various chemical reaction paths, to meet the needs of different industrial and consumer markets.
What are the physical properties of 1 - bromo - 2,3 - dichloro - 5 - (tert - butyl) benzene?
1 + -Bromo-2,3-dichloro-5- (tert-butyl) benzene is one of the organic compounds. Its physical properties are quite important, and it is related to the performance of this compound in different scenarios.
First of all, under normal temperature and pressure, it is mostly in a solid state. Due to the intermolecular force, the benzene ring structure, halogen atoms and tert-butyl groups interact, so that the molecules are arranged in an orderly manner and form a solid-state structure.
times and melting point, the melting point of this compound is within a certain range, but the exact value varies slightly due to factors such as preparation purity. Generally speaking, due to the influence of halogen atoms and tert-butyl groups in the molecule, the intermolecular force is enhanced, resulting in a relatively high melting point. The electronegativity of the halogen atom is large, which can form a strong van der Waals force. The steric resistance of tert-butyl also affects the molecular accumulation, which in turn affects the melting point.
Furthermore, the boiling point is also quite high due to the increase in molecular weight and the increase in intermolecular forces. The number and mass of bromine and chlorine atoms in the molecule increase, and the interaction between various groups increases the energy required for the molecule to leave the liquid phase, so the boiling point increases.
In terms of solubility, this compound is insoluble in water. Because it is a non-polar or weakly polar molecule, and water is a polar molecule, according to the principle of "similar miscibility", the two are insoluble. However, in organic solvents, such as dichloromethane, chloroform, ether, etc., it has a certain solubility. The non-polar or weak polar of organic solvents is similar to this compound, and the intermolecular force can cause the two to mix with each other.
Density is also an important physical property. Generally speaking, due to the large relative atomic mass of halogen atoms, the density of this compound is greater than that of common organic solvents. The presence of bromine and chlorine atoms increases the mass per unit volume, resulting in an increase in density.
In addition, its volatility is low. Due to the strong intermolecular force, it is difficult for molecules to break away from the surface and enter the gas phase, so the volatilization rate is slow at room temperature. This property makes it less prone to loss due to volatilization during storage and use, and the stability is relatively good.
In summary, the physical properties of 1-bromo-2,3-dichloro-5- (tert-butyl) benzene are determined by its molecular structure and are of great significance for its research, storage and use.
First of all, under normal temperature and pressure, it is mostly in a solid state. Due to the intermolecular force, the benzene ring structure, halogen atoms and tert-butyl groups interact, so that the molecules are arranged in an orderly manner and form a solid-state structure.
times and melting point, the melting point of this compound is within a certain range, but the exact value varies slightly due to factors such as preparation purity. Generally speaking, due to the influence of halogen atoms and tert-butyl groups in the molecule, the intermolecular force is enhanced, resulting in a relatively high melting point. The electronegativity of the halogen atom is large, which can form a strong van der Waals force. The steric resistance of tert-butyl also affects the molecular accumulation, which in turn affects the melting point.
Furthermore, the boiling point is also quite high due to the increase in molecular weight and the increase in intermolecular forces. The number and mass of bromine and chlorine atoms in the molecule increase, and the interaction between various groups increases the energy required for the molecule to leave the liquid phase, so the boiling point increases.
In terms of solubility, this compound is insoluble in water. Because it is a non-polar or weakly polar molecule, and water is a polar molecule, according to the principle of "similar miscibility", the two are insoluble. However, in organic solvents, such as dichloromethane, chloroform, ether, etc., it has a certain solubility. The non-polar or weak polar of organic solvents is similar to this compound, and the intermolecular force can cause the two to mix with each other.
Density is also an important physical property. Generally speaking, due to the large relative atomic mass of halogen atoms, the density of this compound is greater than that of common organic solvents. The presence of bromine and chlorine atoms increases the mass per unit volume, resulting in an increase in density.
In addition, its volatility is low. Due to the strong intermolecular force, it is difficult for molecules to break away from the surface and enter the gas phase, so the volatilization rate is slow at room temperature. This property makes it less prone to loss due to volatilization during storage and use, and the stability is relatively good.
In summary, the physical properties of 1-bromo-2,3-dichloro-5- (tert-butyl) benzene are determined by its molecular structure and are of great significance for its research, storage and use.
What are the precautions in the preparation of 1 - bromo - 2,3 - dichloro - 5 - (tert - butyl) benzene?
When preparing 1-bromo-2,3-dichloro-5- (tert-butyl) benzene, many precautions need to be paid attention to one by one.
The selection of starting materials is the key. The purity of tert-butyl benzene raw materials must be strictly controlled, and the presence of impurities can easily lead to side reactions, which in turn affect the yield and purity of the target product. In the halogenation stage of introducing bromine and chlorine atoms, the selection and dosage ratio of halogenating reagents should not be underestimated. Brominating agents such as liquid bromine are highly corrosive and volatile. The operation must be carried out carefully in the fume hood, and the dosage must be precisely controlled. If the dosage is too much, it will not only cause waste, but also may lead to the formation of polybrominated by-products. The same is true for chlorinating agents. The dosage needs to be accurately determined according to the reaction mechanism and the expected product.
The regulation of the reaction conditions cannot be ignored. In terms of temperature, different reaction steps have different temperature requirements. Halogenation reactions are mostly exothermic reactions. If the temperature is too high, the reaction rate will be accelerated, but the side reactions will also increase, such as halogenation at other positions on the benzene ring, or the shedding of tert-butyl. Therefore, it is necessary to use a suitable cooling device to stabilize the temperature within a suitable range. The reaction time is equally important. If the reaction time is too short, the reaction may be incomplete and the target yield is low; if the time is too long, it may cause an overreaction, consume the product and produce more impurities.
Catalysts play a key role in accelerating the reaction. The selection of appropriate catalysts, such as Lewis acid catalysts such as iron halide, can not only speed up the halogenation reaction rate, but also affect the reaction selectivity. However, the amount of catalyst also needs to be carefully considered. Too much or too little may be detrimental to the smooth progress of the reaction.
Post-processing also needs to be treated with caution. After the reaction is completed, the mixture contains the target product, unreacted raw materials, by-products and catalysts. Through appropriate separation and purification methods, such as extraction, distillation, recrystallization, etc., high-purity target products can be effectively obtained. When extracting, it is crucial to choose a suitable extractant, not only to ensure that the target product has good solubility in it, but also to be easy to separate from other impurities. During the distillation process, it is necessary to precisely control the temperature and pressure according to the difference in the boiling point of each substance to achieve effective separation. During recrystallization, the choice of solvent should follow the principle of similar miscibility, so that the target product can be fully dissolved in the hot solvent, and a large amount can be precipitated after cooling, thereby improving the purity of the product.
The process of preparing 1-bromo-2,3-dichloro-5- (tert-butyl) benzene is like a delicate chemical dance, each link is closely connected, and any negligence may affect the final result. Only by being aware of and properly handling all the precautions can a high-purity target product be successfully prepared.
The selection of starting materials is the key. The purity of tert-butyl benzene raw materials must be strictly controlled, and the presence of impurities can easily lead to side reactions, which in turn affect the yield and purity of the target product. In the halogenation stage of introducing bromine and chlorine atoms, the selection and dosage ratio of halogenating reagents should not be underestimated. Brominating agents such as liquid bromine are highly corrosive and volatile. The operation must be carried out carefully in the fume hood, and the dosage must be precisely controlled. If the dosage is too much, it will not only cause waste, but also may lead to the formation of polybrominated by-products. The same is true for chlorinating agents. The dosage needs to be accurately determined according to the reaction mechanism and the expected product.
The regulation of the reaction conditions cannot be ignored. In terms of temperature, different reaction steps have different temperature requirements. Halogenation reactions are mostly exothermic reactions. If the temperature is too high, the reaction rate will be accelerated, but the side reactions will also increase, such as halogenation at other positions on the benzene ring, or the shedding of tert-butyl. Therefore, it is necessary to use a suitable cooling device to stabilize the temperature within a suitable range. The reaction time is equally important. If the reaction time is too short, the reaction may be incomplete and the target yield is low; if the time is too long, it may cause an overreaction, consume the product and produce more impurities.
Catalysts play a key role in accelerating the reaction. The selection of appropriate catalysts, such as Lewis acid catalysts such as iron halide, can not only speed up the halogenation reaction rate, but also affect the reaction selectivity. However, the amount of catalyst also needs to be carefully considered. Too much or too little may be detrimental to the smooth progress of the reaction.
Post-processing also needs to be treated with caution. After the reaction is completed, the mixture contains the target product, unreacted raw materials, by-products and catalysts. Through appropriate separation and purification methods, such as extraction, distillation, recrystallization, etc., high-purity target products can be effectively obtained. When extracting, it is crucial to choose a suitable extractant, not only to ensure that the target product has good solubility in it, but also to be easy to separate from other impurities. During the distillation process, it is necessary to precisely control the temperature and pressure according to the difference in the boiling point of each substance to achieve effective separation. During recrystallization, the choice of solvent should follow the principle of similar miscibility, so that the target product can be fully dissolved in the hot solvent, and a large amount can be precipitated after cooling, thereby improving the purity of the product.
The process of preparing 1-bromo-2,3-dichloro-5- (tert-butyl) benzene is like a delicate chemical dance, each link is closely connected, and any negligence may affect the final result. Only by being aware of and properly handling all the precautions can a high-purity target product be successfully prepared.
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