Chemical Formula | C6HBrClF3O2S |
Molar Mass | 309.48 g/mol |
Appearance | likely a solid, but exact color and form may vary |
Solubility | Soluble in many organic solvents, likely insoluble in water due to its non - polar benzene ring and polar functional groups' balance |
Reactivity | Highly reactive, especially the sulfonyl chloride group which can react with nucleophiles like alcohols, amines to form sulfonates and sulfonamides respectively |
Purity | Varies depending on manufacturing and intended use, can range from technical grade to high - purity for research |
Stability | Unstable in the presence of moisture, hydrolyzes to form the corresponding sulfonic acid |
Name | 3-Bromo-2,4,6-trifluorobenzenesulfonyl chloride |
Chemical Formula | C6H2BrClF3O2S |
Molecular Weight | 319.49 |
Appearance | Solid (Typical) |
Cas Number | 186590-94-7 |
Solubility | Solubility in common organic solvents varies |
Reactivity | Reactive towards nucleophiles |
Hazard Class | Corrosive (due to sulfonyl chloride group, can cause burns) |
Chemical Formula | C6HBrClF3O2S |
Molar Mass | 319.48 g/mol |
Appearance | Typically a solid |
Physical State At Room Temp | Solid |
Solubility In Common Solvents | Soluble in some organic solvents like dichloromethane |
Purity | Can be sold at various purity levels (e.g., 95%, 98% etc.) |
Reactivity | Highly reactive, reacts with nucleophiles like amines, alcohols |
What are the physical properties of 3-Bromo-2,4, 6-trifluorobenzenesulfonyl chloride?
3-Bromo-2,4,6-trifluorobenzenesulfonyl chloride, which has unique physical properties. Its appearance is often white to off-white crystalline powder, which is stable at room temperature and pressure. The melting point is in a specific range, between [X] ° C and [X] ° C. This property is crucial for identifying and purifying the substance.
In terms of solubility, it is difficult to dissolve in water, but easily soluble in common organic solvents such as dichloromethane, chloroform, and tetrahydrofuran. In dichloromethane, it can be rapidly dissolved to form a clear solution. This solubility property lays the foundation for its application in organic synthesis reactions, because it can be dispersed in the reaction system by means of organic solvents, thereby promoting the smooth progress of the reaction.
In addition, the compound has a certain degree of volatility, but the degree of volatility is relatively low. In the normal experimental operation environment, it is necessary to pay attention to proper ventilation to prevent its vapor from accumulating in the air. Its density is higher than that of water, about [X] g/cm ³, which is of great significance when involving operations such as phase separation.
Its physical properties are closely related to the molecular structure. The bromine atom, trifluoro group and sulfonyl chloride group on the benzene ring endow the molecule with specific electronic and spatial effects, which in turn affect its melting point, solubility and other physical properties. The electronegativity difference between bromine atoms and fluorine atoms causes the molecule to exhibit a certain polarity, which affects its solubility in different solvents; while the presence of sulfonyl chloride groups not only enhances the polarity of the molecule, but also makes the compound highly reactive.
What are the chemical properties of 3-Bromo-2,4, 6-trifluorobenzenesulfonyl chloride?
3-Bromo-2,4,6-trifluorobenzenesulfonyl chloride, which has the properties of halogenated aromatics and sulfonyl chloride. Sulfonyl chloride has good activity, and it is easy to hydrolyze in contact with water, resulting in 3-bromo-2,4,6-trifluorobenzenesulfonic acid and hydrogen chloride. Its hydrolysis speed is affected by the environmental pH, and it is easier and faster to hydrolyze in alkaline media.
And because of its sulfonyl chloride group, it can react with alcohols and be replaced by nucleophiles to form corresponding sulfonates. When it encounters amines, it can also react to obtain sulfonamides. This is a common method for making sulfonates and sulfonamides in organic synthesis.
In the halogenated aromatic hydrocarbon part, bromine atoms can participate in nucleophilic substitution reactions under suitable conditions. For example, with nucleophilic reagents, bromine atoms can be replaced to derive other benzene derivatives. This is a way to expand the structure of benzene rings and introduce new functional groups.
In addition, the presence of fluorine atoms in this compound gives the molecule unique physical and chemical properties. Fluorine atoms have high electronegativity, which can affect molecular polarity, stability and biological activity. In organic synthesis, fluorine-containing structures often give products special properties, and are widely used in the fields of medicine, pesticides and materials. In conclusion, the functional group of 3-bromo-2,4,6-trifluorobenzenesulfonyl chloride is an important intermediate in organic synthesis chemistry, and various organic compounds with specific properties can be prepared through various reactions.
What are the common synthesis methods of 3-Bromo-2,4, 6-trifluorobenzenesulfonyl chloride?
3-Bromo-2,4,6-trifluorobenzenesulfonyl chloride is also an important reagent in organic synthesis. There are several common synthesis methods, each with its own length and applicability.
One method is to use 3-bromo-2,4,6-trifluorobenzene as the starting material. Shilling it with fuming sulfuric acid and sulfuric anhydride, this step aims to introduce sulfonic acid groups to form 3-bromo-2,4,6-trifluorobenzenesulfonic acid. During the reaction, the control of temperature and reaction time is crucial. If the temperature is too high, side reactions will be easy to occur; if the time is insufficient, the reaction will not be complete. After the sulfonic acid is obtained, it is treated with sulfoxide chloride. Sulfoxide chloride is active and interacts with sulfonic acid groups to convert it into sulfonyl chloride, and finally obtain 3-bromo-2,4,6-trifluorobenzenesulfonyl chloride. In this process, the amount of sulfoxide chloride, the reaction temperature and the reaction time need to be carefully adjusted, so that the yield can be high and the purity of the product can be guaranteed.
Another method may be started from other benzene derivatives containing fluoride and bromine. Through a series of substitution reactions, sulfonic acid groups and sulfonyl chloride groups are introduced one after another. However, this approach, the reaction steps may be more complex, and the requirements for the reaction conditions are also more stringent. Each step of the substitution reaction requires consideration of the activity of the substrate and the selectivity of the reagent to avoid unnecessary side reactions and ensure that the reaction proceeds according to the expected route.
In addition, the method of phase transfer catalysis is also used to assist the synthesis. The phase transfer catalyst can enable the reaction to proceed efficiently between different phases, improving the reaction rate and selectivity. In the synthesis of 3-bromo-2,4,6-trifluorobenzenesulfonyl chloride, the effect of phase transfer catalysis can be used in specific steps to optimize the reaction process, reduce the reaction time, and improve the yield and purity of the product. < Br >
The synthesis of 3-bromo-2,4,6-trifluorobenzenesulfonyl chloride depends on the deep understanding of the reaction mechanism and the exquisite control of the reaction conditions, which can achieve good results and provide high-quality raw materials for the field of organic synthesis.
What are the applications of 3-Bromo-2,4, 6-trifluorobenzenesulfonyl chloride?
3-Bromo-2,4,6-trifluorobenzene sulfonyl chloride, which is an important organic synthesis reagent, is widely used in many fields.
In the field of medicinal chemistry, its role is significant. The bromine, fluorine and other atoms attached to the phenyl ring give the compound a unique electronic effect and spatial structure. With the activity of its sulfonyl chloride group, it can react with various nucleophiles such as nitrogen and oxygen, and then build a diverse drug molecular skeleton. For example, when developing antibacterial drugs, sulfonamide derivatives can be formed by reacting with specific amine compounds, which often have good antibacterial activity and can effectively inhibit the growth and reproduction of bacteria.
In the field of materials science, it also plays a key role. Due to the introduction of fluorine atoms, the chemical stability, weather resistance and low surface energy of materials can be significantly improved. Using 3-bromo-2,4,6-trifluorobenzenesulfonyl chloride as a raw material and introducing it into the main chain or side chain of polymer materials through a series of reactions, fluorine-containing polymer materials with excellent performance can be prepared. Such materials can be used to prepare hydrophobic and oil-repellent coating materials, which are widely used in construction, automotive and other industries to improve the protective properties of materials.
Furthermore, in the field of pesticide chemistry, its application should not be underestimated. Through rational design and modification, it can be integrated into the molecular structure of pesticides to enhance the affinity and biological activity of pesticides to target organisms. The existence of bromine atoms can increase the lipid solubility of molecules, which is conducive to the transmission and distribution of pesticides in organisms, while fluorine atoms can improve the stability and selectivity of pesticides, reduce the toxicity to non-target organisms, and thus develop new pesticides with high efficiency and low toxicity.
What are the precautions when using 3-Bromo-2,4, 6-trifluorobenzenesulfonyl chloride?
3 - Bromo - 2,4,6 - trifluorobenzenesulfonyl chloride (3 - bromo - 2,4,6 - trifluorobenzenesulfonyl chloride) is a very active chemical agent, and many things need to be paid attention to when using it.
First, safety protection must be comprehensive. This agent is corrosive and can cause serious irritation and damage to the skin, eyes and respiratory tract. Therefore, when using, you must wear protective clothing, protective gloves and goggles to ensure that the whole body is protected in place to prevent inadvertent contact. At the same time, it is advisable to operate in a well-ventilated environment, such as a fume hood, to avoid inhaling its volatile gases. If you inhale or contact the skin or eyes, you should immediately rinse with plenty of water and seek medical treatment quickly.
Second, the storage conditions should not be ignored. It should be stored in a dry, cool and ventilated place, away from fire and heat sources. Because of its active chemical properties, water and heat may cause reactions, resulting in deterioration or danger, so it is necessary to strictly maintain the appropriate storage environment.
Third, the operation of access should be cautious and careful. Use clean and dry utensils to prevent moisture and impurities from mixing in. After taking it, the container should be sealed quickly to prevent the reagent from reacting with the air for a long time. During the measurement process, measure accurately according to the experimental requirements to avoid waste, and the operation action should be stable, accurate and fast to reduce its exposure to the air time.
Fourth, the substances and reaction conditions that react with it should be precisely controlled. Because of its activity, the reaction conditions with different substances are different. It is necessary to clarify the reaction mechanism and conditions in advance, and operate in strict accordance with the specifications to avoid improper reaction conditions, such as poor temperature and pH control, resulting in abnormal reactions, side reactions, and affecting product quality and experimental safety.
In short, when using 3-Bromo-2,4,6-trifluorobenzenesulfonyl chloride, safety is paramount, and strict operation specifications in all links can ensure the smooth progress of the experiment and avoid accidents.