Chemical Formula | C7H2BrF3 |
Molar Mass | 225.0 |
Appearance | Liquid (usually) |
Boiling Point | Approx. 170 - 172 °C |
Density | Approx. 1.74 g/cm³ |
Solubility | Slightly soluble in water, soluble in organic solvents like dichloromethane |
Flash Point | Approx. 65 °C |
Vapor Pressure | Low at room temperature |
Refractive Index | Approx. 1.465 |
What are the chemical properties of alpha-Bromo-2,3,6-trifluorotoluene?
α-Bromo-2,3,6-trifluorotoluene is an important chemical raw material in the field of organic synthesis. Its chemical properties are unique, and it has the characteristics of both bromine atoms and trifluoromethyl.
In terms of reactivity, bromine atoms are highly active and can often undergo nucleophilic substitution reactions. Under the action of many nucleophilic reagents, bromine atoms are easily replaced. For example, when they meet sodium alcohol, they can form corresponding ether compounds; when they react with amine substances, they can form nitrogen-containing derivatives. The mechanism of this nucleophilic substitution reaction is mostly that nucleophilic reagents attack the carbon atoms connected to the bromine atoms, causing bromine ions to leave.
From the perspective of trifluoromethyl, it has strong electron-absorbing properties. This property greatly affects the distribution of molecular electron clouds, reducing the electron cloud density of the benzene ring connected to it, which in turn affects the reactivity on the benzene ring. In the electrophilic substitution reaction, the strong electron-absorbing action of trifluoromethyl makes the benzene ring passivated, and the reaction conditions are more severe than those without this group. For example, during the nitration reaction, the required temperature, reaction time and reagent concentration are different from those of the ordinary toluene nitration reaction.
In addition, the physical properties of α-bromo-2,3,6-trifluorotoluene also affect its chemical properties. Its good solubility in organic solvents provides convenience for many organic reactions, allowing the reactants to be fully mixed and promoting the reaction. However, the solubility in water is very small, and this property determines the choice of the reaction system, which requires special consideration when used in aqueous reactions.
Furthermore, due to the fluorine atoms in the molecule, the compound has certain chemical stability and special biological activity. In the field of pharmaceutical and pesticide research and development, such fluorinated compounds often exhibit unique pharmacological and biological activities, providing the possibility for the creation of new drugs and efficient pesticides in related fields.
What are the main uses of alpha-Bromo-2,3,6-trifluorotoluene?
α-Bromo-2,3,6-trifluorotoluene is also an important intermediate in organic synthesis. It has a wide range of uses and is widely used in medicine, pesticides, materials and other fields.
In the field of medicine, it is often the key raw material for the synthesis of new drugs. Due to the unique properties of fluorine-containing groups and bromine atoms, the lipophilicity, metabolic stability and biological activity of drug molecules can be optimized. Taking the synthesis of some antiviral and anti-tumor drugs as an example, α-bromo-2,3,6-trifluorotoluene introduces key structural fragments through specific reaction steps, so that the affinity of the drug to the target is enhanced and the curative effect is better. < Br >
In the field of pesticides, high-efficiency, low-toxicity and environmentally friendly pesticides can be prepared from this raw material. Pesticide molecules containing fluoride and bromine have stronger contact, stomach toxicity and internal absorption effects on pests. For example, the synthesis of new insecticides can effectively control a variety of crop pests, with less residue and little impact on the ecological environment.
In the field of materials, it can participate in the synthesis of polymer materials with special functions. By polymerizing with other monomers, fluorine and bromine atoms are introduced into the polymer main chain or side chain to improve the thermal stability, chemical stability and surface properties of the material. The prepared material may have excellent weather resistance and corrosion resistance, and can be used in high-end fields such as aerospace and electronics.
In addition, α-bromo-2,3,6-trifluorotoluene is also a commonly used starting material in the study of organic synthetic chemistry, for researchers to explore novel reaction pathways and synthesis methods to expand the structural diversity of organic compounds. In short, it is a key position in the modern chemical industry and scientific research field, and its use is quite rich.
What is the synthesis method of alpha-Bromo-2,3,6-trifluorotoluene?
To prepare α-bromo-2,3,6-trifluorotoluene, it can be obtained by bromination of 2,3,6-trifluorotoluene. This reaction usually needs to be introduced with an initiator, and the common initiator is benzoyl peroxide or light conditions.
In the reactor, first put an appropriate amount of 2,3,6-trifluorotoluene, and add a little benzoyl peroxide as the initiator. The temperature is controlled in a suitable range, generally about 100-150 ° C. Then, at a certain rate, bromine is delayed. Under the action of bromine and 2,3,6-trifluorotoluene in the initiator, the hydrogen atom on the methyl group is replaced by the bromine atom to generate α-bromo-2,3,6-trifluorotoluene. During the reaction, the materials need to be stirred to mix evenly and promote the reaction.
After the reaction is completed, the product contains unreacted raw materials, products and by-products. Most of the unreacted 2,3,6-trifluorotoluene can be initially separated by distillation according to the difference in the boiling point of each substance. After that, column chromatography is used to select suitable adsorbents and eluents for further purification to obtain high-purity α-bromo-2,3,6-trifluorotoluene.
In addition, if light is used as the initiation condition, the reaction device needs to be transparent, and the reaction system is irradiated with light of a specific wavelength during the reaction. The remaining steps are similar to those when initiating with benzoyl peroxide. Temperature control, stirring, etc. are also required to ensure the smooth reaction and improve the yield and purity of the product.
What are the precautions for storing and transporting alpha-Bromo-2,3,6-trifluorotoluene?
Alpha - Bromo - 2,3,6 - trifluorotoluene is an organic compound. When storing and transporting, there are many key things to pay attention to.
The first thing to pay attention to is its packaging. It must be packed in a tightly sealed container to prevent leakage. Because of its certain volatility and chemical activity, if it is not packaged properly and leaks, or comes into contact with air, moisture and other substances, it is easy to cause chemical reactions, cause quality changes, and even pose a safety risk. This is like building a strong fortress for it to keep it safe.
Storage environment is also crucial. It should be stored in a cool, dry and well-ventilated place. If the temperature is too high, it may cause its volatilization to increase, increasing safety hazards; if the humidity is too high, it may cause reactions such as hydrolysis, which will damage the purity and stability of the substance. And it is necessary to keep away from fire and heat sources, because it may be flammable, and it is easy to burn or even explode in case of open flames, hot topics, which is the key to ensuring storage safety.
When transporting, it is necessary to follow relevant regulations and standards. Transportation vehicles need to be equipped with corresponding fire protection equipment and leakage emergency treatment equipment. If a leak occurs during transportation, effective measures can be taken quickly to reduce the harm. Transportation personnel should also be professionally trained and familiar with the characteristics of the substance and emergency treatment methods, so that they can properly deal with various situations during transportation.
At the same time, avoid mixing with oxidants, strong alkalis and other substances. Alpha-Bromo-2,3,6-trifluorotoluene may react violently with these substances, produce dangerous products or cause explosions. For example, people of different qualities need to be properly placed to avoid conflicts.
Regular inspections should be carried out on storage and transportation sites, vehicles, etc. Check for signs of damage, leakage, and normal operation of equipment. If potential problems can be detected and dealt with in a timely manner, they can be prevented before they occur and ensure the safety of alpha-Bromo-2,3,6-trifluorotoluene during storage and transportation.
What are the effects of alpha-Bromo-2,3,6-trifluorotoluene on the environment and human health?
α-Bromo-2,3,6-trifluorotoluene is a chemical substance commonly used in organic synthesis. Its impact on the environment and human health cannot be ignored.
At one end of the environment, such compounds have considerable chemical stability and are not easy to decompose rapidly in the natural environment. If released into water bodies or adsorbed in bottom mud due to hydrophobicity, they will remain in it for a long time, causing ecological disturbance in water bodies. For aquatic organisms, or accumulated and amplified through the food chain, such as small fish swallowing microorganisms containing this compound, and large fish eating small fish, the concentration gradually rises, eventually leading to high-level organisms being poisoned, endangering the population and ecological balance. In the soil, or affect the activity of soil microorganisms, hinder their normal metabolism and reproduction, change soil nutrient circulation and structure, and are unfavorable to plant growth.
As for personal health, α-bromo-2,3,6-trifluorotoluene may be ingested into the human body through respiration, skin contact and diet. When inhaled, or irritate the respiratory tract, causing cough, asthma, breathing difficulties and other diseases, long-term exposure, or even damage lung function. Skin contact can cause contact dermatitis, causing redness, swelling, itching, and pain. If eaten by mistake, it may hurt the gastrointestinal tract, and there is a risk of nausea, vomiting, and abdominal pain. And this compound may have potential carcinogenicity, teratogenicity and mutagenicity. Although the relevant research may not be complete, its impact on genetic material should not be ignored. Long-term exposure to people may increase the risk of cancer, expose pregnant women, and disturb fetal development.
Therefore, the use and disposal of α-bromo-2,3,6-trifluorotoluene should be strictly followed and handled with caution to prevent it from harming the environment and human health.