Name | 3-Bromo-4-fluorobenzenesulfonyl chloride |
Chemical Formula | C6H3BrClFO2S |
Molar Mass | 287.51 g/mol |
Appearance | Solid (usually) |
Physical State At Room Temp | Solid |
Color | Typically white to off - white |
Solubility In Water | Reacts with water |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane |
Hazard Class | Corrosive, reacts with water to release corrosive gases |
Chemical Formula | C6H3BrClFO2S |
Molar Mass | 289.51 g/mol |
Appearance | likely a solid, color may vary |
Physical State At Room Temp | solid |
Solubility In Organic Solvents | soluble in many organic solvents |
Reactivity | reactive towards nucleophiles due to sulfonyl chloride group |
Hazard Class | corrosive due to sulfonyl chloride, may cause skin and eye irritation |
Chemical Formula | C6H3BrClFO2S |
Molecular Weight | 289.51 |
Appearance | Typically a solid |
Color | May be colorless to pale - colored solid |
Odor | Pungent, characteristic odor |
Melting Point | Specific value depends on purity, but has a defined melting range |
Boiling Point | Undergoes decomposition or has a high boiling point under certain conditions |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform |
Solubility In Water | Insoluble in water |
Reactivity | Reactive towards nucleophiles due to the presence of sulfonyl chloride group |
What are the physical properties of 3-Bromo-4-fluorobenzenesulfonyl chloride?
3-Bromo-4-fluorobenzenesulfonyl chloride is a commonly used reagent in the field of organic synthesis. Its physical properties are crucial and are related to the process and results of many chemical reactions.
When it comes to appearance, it usually appears as a white to light yellow crystalline powder or lump. Under normal temperature and pressure, its properties are relatively stable, but it will change significantly under specific conditions such as water and heat.
In terms of melting point, it is about [specific melting point value]. This melting point characteristic is crucial when purifying and identifying this compound. With the help of melting point determination, its purity can be determined. If the purity is high, the melting point value is more accurate and the melting point range is narrow; if it contains impurities, the melting point will be reduced and the melting point range will be wider.
Boiling point, under certain pressure conditions, is about [specific boiling point value]. Knowing the boiling point is of great significance in separation operations such as distillation, and it can be set according to the appropriate temperature to achieve effective separation from other substances.
Solubility is also a key physical property. It is slightly soluble in cold water, and will hydrolyze in contact with water to generate corresponding sulfonic acid and hydrogen chloride gas. This characteristic requires special attention during storage and use, and must be kept in a dry environment. In organic solvents, such as dichloromethane, chloroform, toluene, etc., it has good solubility, which makes it possible to choose a suitable organic solvent according to the reaction requirements during the organic synthesis reaction to promote the smooth progress of the reaction.
In terms of density, [specific density value], this value plays an important role when it comes to solution preparation and calculation of the proportion of materials in the reaction system.
In addition, its smell is irritating, corrosive and irritating to the human respiratory tract, eyes and skin. During the operation, strict protective measures must be taken, such as wearing protective gloves, goggles and gas masks, to prevent harm to the human body.
What are the chemical properties of 3-Bromo-4-fluorobenzenesulfonyl chloride?
3-Bromo-4-fluorobenzenesulfonyl chloride, which has the dual characteristics of halogenated aromatics and sulfonyl chloride.
The properties of sulfonyl chloride are first mentioned, and its chemical activity is quite strong. In contact with water, it hydrolyzes rapidly, producing 3-bromo-4-fluorobenzenesulfonic acid and hydrogen chloride gas. This reaction is violent and often accompanied by heating. The reason for its hydrolysis is that the sulfur atom in the sulfonyl chloride is electrophilic, and the oxygen atom in the water molecule is rich in electrons, and the interaction between the two causes bond breakage.
Furthermore, the sulfonyl chloride can react with alcohols and form sulfonates through the process of substitution. This reaction is usually carried out under the catalysis of a base, which can neutralize the hydrogen chloride produced by the reaction, shift the equilibrium to the right, and increase the yield. For example, when reacted with ethanol, ethyl 3-bromo-4-fluorobenzenesulfonate can be obtained.
And because of its halogen atom, under suitable conditions, nucleophilic substitution can occur. For example, when reacted with sodium cyanide, bromine or fluorine atoms can be replaced by cyanide groups to form cyanide-containing benzene derivatives. This reaction broadens the structural changes of the compounds and lays the foundation for the subsequent synthesis of more complex organic compounds. < Br >
The halogenated aromatic hydrocarbon part of 3-bromo-4-fluorobenzenesulfonyl chloride, the benzene ring has a conjugated system and its properties are relatively stable, but it can also undergo electrophilic substitution reaction. Because of the substituents such as bromine, fluorine and sulfonyl chloride groups attached to the benzene ring, these groups have an impact on the electron cloud density distribution of the benzene ring, and the electrophilic substitution reaction activity is different from that of benzene. Bromine and fluorine are ortho-para-sites, and sulfonyl chloride are meta-sites. Under the combined action, the electrophilic substitution reaction has specific regioselectivity. < Br >
This compound is widely used in the field of organic synthesis and can be used as a key intermediate. With the above reaction characteristics, it can construct a variety of complex organic molecular structures, which is of great value in many fields such as medicinal chemistry and materials science.
What are the main uses of 3-Bromo-4-fluorobenzenesulfonyl chloride?
3-Bromo-4-fluorobenzenesulfonyl chloride is a crucial chemical reagent in the field of organic synthesis. It has a wide range of uses, first in the field of medicinal chemistry. The design and synthesis of drug molecules often require the introduction of specific functional groups to regulate the activity, selectivity and pharmacokinetic properties of drugs. The bromine, fluorine and sulfonyl chloride functional groups of this compound are all active check points that can participate in various chemical reactions. It can construct complex and specific biological activity drug molecular structures through nucleophilic substitution, electrophilic substitution and other reactions.
Furthermore, it has extraordinary applications in the field of materials science. The sulfonyl chloride functional group can react with many compounds containing hydroxyl groups and amino groups to form covalent bonds, thus preparing polymer materials with unique properties. For example, it can be used to prepare polymers with special optical and electrical properties, or for surface modification of materials to improve the hydrophilicity and wear resistance of materials.
In addition, 3-bromo-4-fluorobenzenesulfonyl chloride also plays an important role in pesticide chemistry. The research and development of pesticides aims to create compounds with high efficiency, low toxicity and specific biological activities. The functional groups of the compounds can be converted into structural fragments with insecticidal, bactericidal or herbicidal activities through a series of reactions, providing key intermediates for the development of new pesticides. The presence of bromine and fluorine atoms in its structure endows it with unique electronic and spatial effects. It can be used as a positioning group in organic synthesis reactions to guide the reaction to selectively occur at a specific location of the benzene ring, which is helpful for the synthesis of organic compounds with precise structures. It is widely used in the preparation of fine chemical products and helps to produce high-value-added fine chemicals.
What is the synthesis method of 3-Bromo-4-fluorobenzenesulfonyl chloride?
The synthesis method of 3-bromo-4-fluorobenzenesulfonyl chloride has been deeply studied by chemists throughout the ages, and the methods are diverse, as follows.
First, 3-bromo-4-fluorobenzene is used as the starting material. First, it is placed in a reactor with chlorosulfonic acid, and the two are mixed in a specific ratio. At an appropriate temperature, the reaction is slow. Chlorosulfonic acid has strong sulfonation properties, which can introduce sulfonyl groups on the benzene ring. After the reaction reaches a certain level, cool down, and then carefully add sulfoxide chloride. Sulfoxide chloride can convert the sulfonic acid group into sulfonyl chloride. During this process, attention should be paid to the regulation of the reaction temperature, so as not to overreact and cause frequent side reactions. After the reaction, 3-bromo-4-fluorobenzenesulfonyl chloride can be obtained by distillation, extraction and other separation and purification techniques.
Second, 3-bromo-4-fluorobenzenesulfonyl chloride can also be used as the starting material. First, it reacts with sodium nitrite and hydrochloric acid at low temperature to form diazonium salts. Diazonium salts are highly active, and then react with sodium sulfite to form corresponding benzenesulfonates. Finally, the benzenesulfonate is treated with phosphorus pentachloride or phosphorus oxychloride. After this step, the benzenesulfonate can be converted into 3-bromo-4-fluorobenzenesulfonyl chloride. Although this route is complex, the reaction conditions of each step are relatively mild, easy to control, and the yield is also considerable. During the reaction process, the products of each step need to be properly handled, and the reaction conditions must be strictly controlled to ensure the purity and yield of the final product.
This two methods are common methods for synthesizing 3-bromo-4-fluorobenzenesulfonyl chloride. In practical applications, chemists will weigh the appropriate method according to the availability of raw materials, cost, product purity requirements and other factors.
3-Bromo-4-fluorobenzenesulfonyl chloride during storage and transportation
3-Bromo-4-fluorobenzenesulfonyl chloride is a commonly used reagent in organic synthesis. When storing and transporting it, many matters must be observed.
When storing, the first choice of environment. It should be placed in a cool, dry and well-ventilated place. The cover is active because of its activity, and it can be deteriorated by heat and moisture. If it is exposed to high temperature or too much contact with water vapor, it may cause chemical reactions, cause it to fail, or even form dangerous things. And it should be kept away from fire and heat sources to prevent it from being heated and causing accidents.
Furthermore, this substance must be stored in a sealed container. Due to exposure to air, it is easy to react with the ingredients in the air. The container and material used should also be carefully selected. Although glass containers are commonly used, in case of special circumstances, their compatibility with the reagent should be considered. If some glass components, or have a weak reaction with the reagent, long-term storage, or affect the purity of the reagent.
As for transportation, there are also many rules. Appropriate packaging should be selected in accordance with relevant regulations. The packaging must be stable to prevent damage to the container due to collision and vibration during transportation. And the environment of the transportation vehicle should also be controlled. High temperature and humidity should be avoided to ensure that the transportation environment is suitable. The escort must be familiar with the characteristics of the reagent and emergency treatment methods. If there is an accident on the way, such as packaging leakage, it can be dealt with in time to avoid major disasters.
All of these are to be taken into account when storing and transporting 3-bromo-4-fluorobenzenesulfonyl chloride. Only with caution can the process be safe and the quality of the reagents be intact.