Chemical Formula | C6H2BrClF2O2S |
Molar Mass | 307.497 g/mol |
Appearance | Solid (Typically) |
Physical State At Stp | Solid |
Boiling Point | N/A (decomposes before boiling in many cases) |
Melting Point | N/A (usually decomposed by heat rather than melting cleanly) |
Solubility In Water | Reacts with water |
Solubility In Organic Solvents | Soluble in some organic solvents like dichloromethane, chloroform |
Reactivity | Highly reactive, especially towards nucleophiles due to the presence of sulfonyl chloride group |
Hazard Class | Corrosive (due to the reactivity of sulfonyl chloride) |
Chemical Formula | C6H2BrClF2O2S |
Molecular Weight | 309.498 |
Appearance | Typically a solid (appearance can vary based on purity and conditions) |
Physical State At Room Temperature | Solid |
Solubility In Water | Low solubility, as it has non - polar benzene ring and non - water - friendly functional groups |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform due to non - polar nature of benzene ring |
Chemical Formula | C6H2BrClF2O2S |
Molecular Weight | 309.497 |
Appearance | Typically a solid (physical state can vary based on conditions) |
Melting Point | Data may vary, check specific references |
Boiling Point | Data may vary, check specific references |
Solubility In Water | Low solubility, likely insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane |
Density | Data may vary, check specific references |
Pungency | May have a pungent odor due to the sulphonyl chloride group |
Reactivity | Reactive towards nucleophiles, especially amines and alcohols |
What are the main uses of 4-bromo-3, 5-difluorobenzenesulphonyl chloride?
4-Bromo-3,5-difluorobenzenesulfonyl chloride is a crucial chemical raw material in organic synthesis. It has a wide range of uses and is widely used in the field of medicinal chemistry. Because pharmaceutical synthesis often requires the introduction of specific functional groups to create compounds with specific activities, the bromine, fluorine and sulfonyl chloride functional groups of this substance can provide key check points for the modification and construction of pharmaceutical molecular structures.
For example, sulfonyl chloride groups can be chemically converted into sulfonamides and other functional groups, which are common in many drug molecules and have significant effects on regulating the activity, solubility and interaction with biological targets of drugs. The introduction of fluorine atoms can also greatly change the physical and chemical properties and biological activities of drug molecules, such as enhancing the lipophilicity of the drug, improving its transmembrane transport ability, and then improving bioavailability.
In the field of pesticide chemistry, 4-bromo-3,5-difluorobenzenesulfonyl chloride also plays an important role. The design of pesticides needs to take into account the activity and environmental friendliness of the target organism. The unique structure of this compound can assist in the synthesis of pesticides with high insecticidal, bactericidal or herbicidal activities. For example, with reasonable structural modification, the resulting pesticide is highly selective to specific pests or weeds, and reduces the toxicity to non-target organisms, reducing the adverse impact on the environment.
Furthermore, in the field of materials science, it may also have potential applications. For example, it can participate in the preparation of special polymer materials, using its functional groups to polymerize with other monomers, giving the material unique properties, such as enhancing the stability, corrosion resistance or optical properties of the material. In short, 4-bromo-3,5-difluorobenzenesulfonyl chloride, with its special structure, is an indispensable synthetic intermediate in many fields such as medicine, pesticides and materials.
What are the synthesis methods of 4-bromo-3, 5-difluorobenzenesulphonyl chloride
4-Bromo-3,5-difluorobenzenesulfonyl chloride has been synthesized in ancient times, and there are various ways, which are described in detail below.
First, 4-bromo-3,5-difluorobenzene is used as the starting material. First, 4-bromo-3,5-difluorobenzene is co-heated with fuming sulfuric acid, sulfur trioxide and other sulfonating reagents to undergo a sulfonation reaction. This process requires attention to temperature control. If the temperature is too high, side reactions will occur frequently, and if it is too low, the reaction rate will be slow. After the reaction is completed, 4-bromo-3,5-difluorobenzenesulfonic acid can be obtained through hydrolysis, separation and other operations. Then, 4-bromo-3,5-difluorobenzenesulfonic acid is co-heated with chlorinated reagents such as thionyl chloride and phosphorus trichloride, and the chlorination reaction can be carried out to obtain 4-bromo-3,5-difluorobenzenesulfonic acid.
Second, 4-bromo-3,5-difluoroaniline is used as the starting material. First, 4-bromo-3,5-difluoroaniline is converted into a diazonium salt. Then the diazonium salt interacts with reagents such as sodium bisulfite to generate 4-bromo-3,5-difluorobenzenesulfonic acid. Follow-up is consistent with the above method, 4-bromo-3,5-difluorobenzenesulfonyl chloride can be obtained by chlorination reaction.
Third, 4-bromo-3,5-difluorobenzoic acid is used as the starting material. It is first reduced to 4-bromo-3,5-difluorobenzyl alcohol, and then halogenated to obtain 4-bromo-3,5-difluorobenzyl. After that, the nucleophilic substitution reaction introduces the sulfonic acid group, and then the target product is obtained by chlorination reaction.
All kinds of synthesis methods have advantages and disadvantages. The first method is easy to obtain raw materials, but the steps of sulfonation and chlorination are complicated; the second method has a little more steps, but the diazotization reaction has good controllability; although the starting materials of the three methods are different, the operation is relatively complicated. When actually synthesizing, the appropriate method should be carefully selected according to the availability of raw materials, reaction conditions, cost considerations and other factors.
What are the physical properties of 4-bromo-3 5-difluorobenzenesulphonyl chloride?
4-Bromo-3,5-difluorobenzenesulfonyl chloride is an important compound commonly used in organic synthesis. Its physical properties are quite unique, let me tell them one by one.
Looking at its appearance, it is often white to light yellow crystalline powder or solid, which is its obvious external characteristic, like a natural creation, with a regular and unique shape. This form is easy to store and use, and it is convenient for experimental operation and industrial production.
When it comes to melting point, it is usually in a specific temperature range, between [X] ° C and [X] ° C. The stability of the melting point reflects the order and compactness of its molecular structure. Just as the foundation of the building is stable, it can ensure that it maintains its inherent physical state in various environments, laying a solid foundation for subsequent reactions and applications.
The boiling point is also one of the important physical properties. Under specific pressure conditions, its boiling point is about [X] ° C. The level of boiling point is related to the transformation of its phase state during heating, which is of great significance for separation, purification and other operations. This boiling point characteristic allows chemists to use distillation and other means to precisely separate it from the mixture, just like a skilled craftsman carefully carving, taking the essence and removing the dross.
In terms of solubility, 4-bromo-3,5-difluorobenzenesulfonyl chloride is soluble in a variety of organic solvents, such as dichloromethane, chloroform, toluene, etc. This solubility is like a fish getting water, diffusing and blending freely in the embrace of organic solvents, thus creating a good reaction medium for organic synthesis reactions. Differences in the degree of solubility in different organic solvents also provide chemists with a variety of options. According to the needs of the reaction, the reaction system can be cleverly prepared to achieve the best reaction effect.
In addition, 4-bromo-3,5-difluorobenzenesulfonyl chloride has a certain degree of volatility. Although the degree of volatility is not intense, it should be treated with caution during operation. This volatility is like an invisible spirit, and it will escape into the air if there is a little carelessness. Therefore, the operation needs to be carried out in a well-ventilated place to ensure the safety of the experimenter and the cleanliness of the environment.
Its density is about [X] g/cm ³. The density characteristics make it occupy a specific spatial position in the system during the reaction or mixing process, which affects the interaction and reaction process between substances. It is like a chess piece in its place on the chessboard, jointly interpreting the wonderful chapter of organic synthesis.
In summary, the physical properties of 4-bromo-3,5-difluorobenzenesulfonyl chloride are rich, diverse and interrelated. These properties not only determine its application scope and method in the field of organic synthesis, but also provide a broad stage for chemists to display their skills.
What are the chemical properties of 4-bromo-3, 5-difluorobenzenesulphonyl chloride
4-Bromo-3,5-difluorobenzenesulfonyl chloride, this is an organic compound with unique chemical properties. In terms of physical properties, it may be solid under normal conditions, and its melting point and boiling point are different from simple benzene derivatives due to the halogen atoms and sulfonyl chloride groups in the structure. The presence of halogen atoms such as bromine and fluorine in the molecule makes it have a certain polarity, which also affects its solubility, or slightly soluble in water, soluble in common organic solvents such as dichloromethane and chloroform. Due to the similar principle of miscibility, its polar structure is more compatible with organic solvents.
In terms of chemical properties, sulfonyl chloride groups are active and prone to various chemical reactions. The first is a hydrolysis reaction. When exposed to water, the sulfonyl chloride group can be hydrolyzed into a sulfonic acid group to form 4-bromo-3,5-difluorobenzenesulfonic acid and hydrogen chloride. This reaction can be carried out under mild conditions. Due to the relatively low bond energy of sulfonyl chloride, it is easy to break when water attacks. The second is an aminolysis reaction, which interacts with ammonia or amine compounds. The sulfonyl chloride group can be replaced by the amino group to obtain the corresponding sulfonamide compound. This reaction is an important way to prepare nitrogen-containing organic compounds and is widely used in drug synthesis and other fields. Third, although the halogen atoms bromine and fluorine are relatively stable, they may also be replaced by other nucleophilic groups under specific conditions, such as strong nucleophiles and high temperature environments, and their derivatization paths may be expanded.
In addition, the aromatic ring structure of the compound can also participate in the reaction. For example, in the presence of an appropriate catalyst, electrophilic substitution reactions such as Fourier-Gram reactions can occur, and other functional groups can be introduced into the aromatic ring to further enrich its chemical properties and applications.
What are the precautions for 4-bromo-3, 5-difluorobenzenesulphonyl chloride in storage and transportation?
4-Bromo-3,5-difluorobenzenesulfonyl chloride is a very important reagent in organic synthesis. When storing and transporting, many things need to be paid attention to.
First storage, this substance is quite sensitive to environmental conditions. Because of its certain chemical activity, it should be stored in a cool, dry and well-ventilated place. If placed in a high temperature place, or cause its chemical properties to change, or even cause adverse reactions such as decomposition. The temperature should be controlled in a specific range, such as a refrigerated environment of 2-8 ° C, or stored at an appropriate temperature according to its physical properties. At the same time, the humidity should also be paid attention to. High humidity environment may cause moisture absorption and deterioration, so the storage place must be kept dry. And it needs to be kept away from fire and heat sources, because it may be flammable or react violently with heat.
Furthermore, this reagent should be stored separately from substances such as alkalis and alcohols. Due to its active chemical properties, it is easy to react with acid and alkali when it encounters alkalis, causing it to fail; contact with alcohols, or cause chemical reactions such as substitution, which will damage its purity and quality.
As for transportation, there are also many considerations. Appropriate packaging materials must be selected according to their chemical properties. When using packaging that can be leak-proof, pressure-resistant and chemically stable, to prevent the package from being damaged due to collision and extrusion during transportation, so that the reagent leaks. When transporting, avoid excessive vibration amplitude to prevent the package from being broken due to impact. And the temperature and humidity of the transportation environment should also be properly regulated and kept stable to ensure the quality and safety of the reagent during transportation.
In summary, 4-bromo-3,5-difluorobenzenesulfonyl chloride should be stored and transported with careful attention to environmental conditions, packaging and isolation from other substances to ensure its chemical stability and use efficiency.