Chemical Formula | C9H8ClF |
Chemical Formula | C9H8ClF |
Molecular Weight | 172.61 |
Chemical Formula | C9H8ClF |
Appearance | Colorless to light yellow liquid |
Boiling Point | Approximately 205 - 210 °C |
Density | Around 1.1 - 1.2 g/cm³ |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents like ethanol, ether |
Vapor Pressure | Low at room temperature |
Flash Point | Relatively high, estimated > 80 °C |
Odor | Characteristic aromatic odor |
Name | 1-allyl-3-chloro-4-fluorobenzene |
Molecular Formula | C9H8ClF |
Molecular Weight | 170.61 |
Appearance | Liquid (usually, needs experimental verification) |
Boiling Point | Needs experimental determination |
Melting Point | Needs experimental determination |
Density | Needs experimental determination |
Solubility In Water | Low (hydrophobic aromatic compound) |
Solubility In Organic Solvents | Good (e.g., ethanol, acetone, etc., needs experimental verification) |
Vapor Pressure | Needs experimental determination |
Flash Point | Needs experimental determination |
Chemical Reactivity | Can participate in substitution, addition reactions due to allyl group and aromatic ring |
What are the main uses of 1-allyl-3-chloro-4-fluorobenzene?
1 - allyl - 3 - chloro - 4 - fluorobenzene is also an organic compound. Its main use is quite wide, and it is widely used in chemical synthesis.
One of them can be used as an intermediate in organic synthesis. The science of organic synthesis, in order to make complex and delicate organic molecules, often relies on such intermediates as the basis. 1 - allyl - 3 - chloro - 4 - fluorobenzene because of its unique structure, phenylcycloalkyl, chlorine atoms and fluorine atoms, allyl with active reactivity, chlorine and fluorine atoms also have their own characteristics, can borrow many organic reactions, such as nucleophilic substitution, addition, etc., introduce other functional groups, and then build a variety of organic structures, laying the foundation for the creation of new drugs, materials, etc.
Second, in the field of medicinal chemistry, may have potential applications. When drug development, chemists often need to design and synthesize molecules with specific biological activities. The structure of this compound may be compatible with some biological targets, and after reasonable modification and optimization, it may become a lead compound with therapeutic efficacy. For example, using it as a starting material, through a multi-step reaction, changing its substituent, adjusting the spatial configuration of the molecule, or enhancing the affinity with the target, a potential drug candidate can be obtained.
Third, in the field of materials science, it is also possible. With the advancement of science and technology, the search for special performance materials is growing. 1-allyl-3-chloro-4-fluorobenzene may participate in the synthesis of polymer materials. With its polymerization ability of allyl, the main chain or side chain of the polymer is introduced, and the material is endowed with special physical and chemical properties, such as improving the solubility, thermal stability, optical properties, etc., which makes extraordinary contributions to the creation of advanced materials.
What are the physical properties of 1-allyl-3-chloro-4-fluorobenzene?
1 - allyl - 3 - chloro - 4 - fluorobenzene is an organic compound with specific physical properties. It is in a liquid or solid state, but the exact state varies depending on temperature and pressure. At room temperature and pressure, or a colorless to light yellow liquid, it has a special odor because it contains benzene rings and allyl structures.
The compound is volatile, and the degree of volatility is related to ambient temperature, pressure, and its own vapor pressure. Usually, when the temperature increases, the vapor pressure increases, and the volatility increases. Its density is less than that of water, and if mixed with water, it will float on the water surface.
1-allyl-3-chloro-4-fluorobenzene is insoluble in water. Because water is a polar molecule, the phenyl ring and allyl in this compound have a non-polar structure. According to the principle of "similarity and miscibility", it is difficult to dissolve in polar solvent water. However, it is soluble in many organic solvents, such as ethanol, ether, dichloromethane, etc. These organic solvents are mostly non-polar or weakly polar. They are similar in structure to the compound and can be miscible with each other.
Melting point and boiling point are important physical properties. Melting point refers to the temperature at which a substance changes from a solid state to a liquid state, and the boiling point is the temperature at which the surface and interior of the liquid simultaneously vaporize violently. The melting point of 1-allyl-3-chloro-4-fluorobenzene is about [X] ° C, and the boiling point is about [X] ° C. The specific value is affected by the purity of the compound and the determination conditions. The higher the purity, the closer the melting point and boiling point are to the theoretical value; the pressure varies when measured, and the value also changes, usually measured at standard atmospheric pressure.
In addition, the compound contains chlorine and fluorine atoms, which have a certain polarity, which affects the intermolecular forces and affects its physical properties such as melting point, boiling point, solubility, etc. Allyl groups containing unsaturated carbon-carbon double bonds make the compound chemically active and can participate in a variety of chemical reactions, which also has potential effects on its physical properties.
What is the chemical synthesis method of 1-allyl-3-chloro-4-fluorobenzene?
1 - allyl - 3 - chloro - 4 - fluorobenzene is also an organic compound. To synthesize this substance, you can follow the following method.
Starting material, 3 - chloro - 4 - fluorotoluene can be selected. First, 3 - chloro - 4 - fluorotoluene and N - bromosuccinimide (NBS) are catalyzed by benzoyl peroxide (BPO) in carbon tetrachloride (CCl) solvent, heated and refluxed to undergo benzyl bromide. This step can obtain 3 - chloro - 4 - fluorobenzyl bromide. The reaction principle is that NBS provides a bromine source, initiates a free radical reaction in BPO, captures the hydrogen atom on the benzyl group, generates the benzyl radical, and then binds to the bromine atom to obtain the product.
Subsequently, 3-chloro-4-fluorobenzyl bromide is reacted with allyl-magnesium bromide (allyl-MgBr). In anhydrous ether or tetrahydrofuran (THF) solvent, the allyl magnesium bromide is slowly added dropwise at low temperature, and the reaction proceeds smoothly and then refluxed at high temperature. The carbon-magnesium bond in Grignard's reagent has strong nucleophilicity, attacking the carbon center of benzyl bromide in 3-chloro-4-fluorobenzyl bromide. After hydrolysis, 1-allyl-3-chloro-4-fluorobenzene can be obtained.
Another way can be started from 3-chloro-4-fluoroaniline. First, by diazotization, 3-chloro-4-fluoroaniline and sodium nitrite (NaNO -2) are mixed in hydrochloric acid (HCl) solution to form diazonium salt 3-chloro-4-fluorobenzenediazonium chloride at low temperature. The diazonium salt is unstable and needs to be treated in time. Next, allyl-SnBu is added, and a Stille coupling reaction occurs under the action of a palladium catalyst such as tetra (triphenylphosphine) palladium (Pd (PPh)). The target product 1-allyl-3-chloro-4-fluorobenzene can be obtained. This reaction takes advantage of the reactivity of diazonium salts and the selectivity of Stille reaction to form carbon-carbon bonds. < Br >
The method of synthesizing 1-allyl-3-chloro-4-fluorobenzene requires considering factors such as raw material availability, reaction conditions, cost and yield according to the actual situation, carefully selecting the appropriate path, and fine operation to achieve a good synthetic effect.
1-allyl-3-chloro-4-fluorobenzene what are the precautions during storage and transportation?
1 - allyl - 3 - chloro - 4 - fluorobenzene is an organic compound, and there are indeed many key matters to be paid attention to during storage and transportation.
When storing, choose the first environment. It should be placed in a cool and ventilated warehouse, because the compound is prone to chemical reactions when heated, or even safety concerns. The warehouse temperature should be properly controlled and must not be too high. At the same time, be sure to keep away from fire and heat sources. Open flames and hot topics may cause combustion or explosion.
Furthermore, the storage place should be kept dry, because the humid environment may promote the occurrence of reactions such as hydrolysis, which will affect the quality. It must be stored separately from oxidizing agents, acids, alkalis, etc., and these substances should come into contact with them or cause severe chemical reactions.
There are also requirements for packaging. The packaging must be tightly sealed to prevent leakage. Appropriate packaging materials should be used to ensure effective protection.
During transportation, do not take it lightly. Transportation vehicles must be equipped with corresponding varieties and quantities of fire fighting equipment and leakage emergency treatment equipment. During driving, it should be protected from exposure to the sun, rain, and high temperature.
When loading and unloading, it should be handled lightly to avoid collisions and heavy pressure to prevent material leakage caused by package damage. Transportation should be carried according to the specified route, and do not stop in densely populated areas and residential areas.
In short, when storing and transporting 1-allyl-3-chloro-4-fluorobenzene, environmental conditions, packaging conditions, and operating specifications are all critical, and a little carelessness may lead to safety accidents and quality problems.
What are the effects of 1-allyl-3-chloro-4-fluorobenzene on the environment and human health?
1 - allyl - 3 - chloro - 4 - fluorobenzene is an organic compound that is occasionally used in the field of chemical synthesis. However, its impact on the environment and human health cannot be ignored.
First talk about the impact on the environment. If this compound is released into the environment, it is difficult to decompose quickly by natural conditions due to its certain chemical stability, or cause environmental residues. In the soil, it may change the soil quality, affect the absorption of nutrients by plant roots, hinder plant growth and development, or cause physiological lesions and reduced yield of plants. In the water body, it may cause poisoning of aquatic organisms, affect their reproduction, growth and behavior, and then destroy the balance of aquatic ecosystems, endangering the entire ecological chain.
Re-discussion on the impact on human health. Inhalation through the respiratory tract, or irritation to the respiratory system, causing symptoms such as cough, asthma, breathing difficulties, long-term exposure or lung diseases. If skin contact, or penetrate the skin barrier, cause contact dermatitis, redness, swelling, itching, rash, etc. After entering the human body, it may interfere with the normal physiological metabolism of the human body, affect the endocrine system, interfere with hormone balance, and may also have adverse effects on the reproductive system, such as affecting fertility, or causing damage to fetal development, increasing the risk of fetal malformation.
In summary, 1 - allyl - 3 - chloro - 4 - fluorobenzene poses a latent risk to the environment and human health. When manufacturing, using and disposing of this compound, we should adhere to a cautious attitude and follow strict regulations to reduce its harm to the environment and human body.