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What are the main uses of 2,6-dichloro-3-fluorobenzonitrile?
2,6-Dichloro-3-Fluorobenzonitrile, with chlorine and fluorine in the aromatic ring and a nitrile group on the outside, is a rare treasure of new chemical intermediates despite its tiny shape.
First, drug intermediates
All contemporary pharmaceutical companies pay much attention to the refinement of molecules and the novelty of side chains. 2,6-Dichloro-3-Fluorobenzonitrile can be used as the head group of many types of reactions with its nitrile group, and can be easily derived into amides, carboxylic acids, amines, etc. It is used to synthesize new anti-tumor drugs, antibacterial drugs, antiviral drugs and other special small molecule active substances, either as the main skeleton or as a side chain decoration, all of which are remarkable.
Second, pesticide raw materials
In the synthesis of pesticides, the arrangement of benzene ring substituents can affect the insecticidal, weed-killing, and bactericidal activities. 2,6-Dichlorotrifluorobenzonitrile is used in the design of new herbicide and insecticide lead molecules. Its nitrile group not only helps the diversity of subsequent reactions, but also chlorine and fluorine increase the affinity of the molecule to the target, making the drug effect more specific and lasting longer.
Third, fine chemical derivatives
This substance is an ideal cornerstone for building multifunctional aromatic ring derivatives. It can be further hydrogenated, aminated, carboxylated, etc. to generate a series of high-performance coating additives, electronic material monomers, liquid crystal intermediates, etc. Although this kind of fine work is used in small quantities, it is of high value and is especially cherished by high-end chemical experts.
Fourth, a pioneer in scientific research and exploration
Major scientific research institutes in Europe, the United States, Japan and China often use it as the mother body for aromatic ring functional group modification experiments to explore new candidate molecules for drugs and pesticides. Scholars call it a "novel nitrile platform" to help screen hundreds or thousands of compounds for one of them to be effective.
What are the physical properties of 2,6-dichloro-3-fluorobenzonitrile?
2,6-Dichloro-3-Fluorobenzonitrile, the benzene ring contains chlorine and fluorine, and is flanked by a nitrile group. It has a plain appearance and a strong temperament. Although it is a micro powder, it has infinite functions.
First, the appearance and color
Under normal conditions, it is a white or off-white crystalline powder with a slight luster, like frost. It is delicate to the touch, light and easy to float, so be careful not to inhale it by mistake.
Second, the melting property
Its melting point is about 90 to 95°C. When the temperature reaches this point, it turns into a clear liquid. When it is cooled again, it recondenses without impurities. This property helps crystallization and purification, and is also convenient for storage and measurement.
Third, the molecular weight
The molecular weight is 190.00, which is larger than the common benzonitrile. Due to the addition of chlorine and fluorine, the texture is heavier and the smell is more subtle.
Fourth, density
Its density is about 1.5 g/cm³ (approximate estimate). Although the powder is light, it is actually heavier than water and can settle to the bottom of the solvent.
Fifth, solubility
It is insoluble in water, sinks when it comes into contact with water, and has no hydrolysis reaction.
It is soluble in most organic solvents, such as dichloromethane, ethyl acetate, toluene, etc. The dissolution rate increases with temperature rise. It is suitable for warm dissolution and crystallization to obtain a clean product.
Sixth, volatility
It has very little volatility at room temperature and is not easy to emit odor. However, if it is placed in the air for a long time, it is still necessary to prevent fine dust from floating.
Is the chemical property of 2,6-dichloro-3-fluorobenzonitrile stable?
2,6-Dichloro-3-Fluorobenzonitrile, the aromatic ring is solid, chlorine and fluorine are parallel, the nitrile group is straight, the structure is stable, the nature is restrained, and it is not easy to change.
First, the aromatic ring is stable
The skeleton of the benzene ring is solid, chlorine and fluorine are substituted in the ortho position, and the electronic effects balance each other, making the molecule as a whole stable and difficult to be corroded by acid and alkali at room temperature.
Second, the nitrile group is tough
The nitrile group (-C≡N) is a highly polar triple bond, but it is not easy to be hydrolyzed by general hydrolysis. It is acid- and alkali-resistant under normal conditions, but it can be slowly hydrolyzed to form amines or carboxylic acids under high temperature strong acid or strong base.
Third, it is anti-oxidation and anti-reduction
In normal air, 2,6-dichloro-3-fluorobenzonitrile is not easy to be oxidized or reduced, the color does not change, and the properties are stable. However, it can be changed by extremely strong reducing agents or strong oxidizing agents.
Fourth, thermal stability
The melting point of this material is about 90 degrees, and it has good thermal stability. It starts to melt at this temperature, and there is no spontaneous combustion or decomposition. However, if the temperature rises suddenly above 200 degrees, it may slowly decompose and release harmful gases. It is necessary to prevent overheating.
Fifth, light resistance
It has a certain resistance to ordinary light or sunlight, but long-term strong ultraviolet radiation may induce slight decomposition of molecules, resulting in slight changes in color and properties.
What is the production process of 2,6-dichloro-3-fluorobenzonitrile?
2,6-dichlorotrifluorobenzonitrile is a delicate product that is not obtained naturally, but must be carefully synthesized. Its preparation method is complicated and precise, and must be carried out according to the regulations to obtain pure and good products. Here is a general description of its preparation method for reference.
First, raw material selection
First, benzonitrile is used as the parent body, supplemented with chlorine and fluorination reagents. Benzonitrile is pure, and the water and impurities must be below the set point. The chlorine is of high purity and free of foreign impurities to ensure the accuracy of the reaction.
Second, halogen substitution
First, benzonitrile is reacted with chlorine under the action of a catalyst, and chlorine substitution is achieved at the 2 and 6 positions of the benzene ring under controlled temperature and pressure. This step requires precise control of the reaction rate to prevent excessive halogenation, and obtain 2,6-dichlorobenzonitrile intermediate.
Third, fluorine substitution
Fluorination reagents (such as hydrogen fluoride or special fluorination agents) are then used on the 3 position of the intermediate to implement fluorine substitution. This reaction is extremely sensitive to temperature and must be heated slowly to prevent the generation of impurities by side reactions. Inert gas is often used in the reactor to prevent oxidation.
Fourth, nitrile group maintenance
Be careful not to damage the nitrile group during the reaction, because it is the target functional group, and keeping it intact is the key to success. The pH control in the reaction system must be strict to prevent the nitrile group from hydrolyzing or deforming.
Fifth, purification and refining
After the reaction, the mixture is obtained, which must be extracted, crystallized, washed and other processes to remove unreacted products, halogens and solvent residues. Commonly used solvents are ethanol, acetone or chloroform. Crystallization gives a white pure powder, which is the finished product.
Sixth, testing and packaging
After the finished product passes the melting point, purity (HPLC), water content and other tests, it is packaged in a sealed plastic barrel or aluminum foil bag, moisture-proof and heat-proof, and stored in a cool and ventilated place for sale.
What is the price range of 2,6-dichloro-3-fluorobenzonitrile in the market?
2,6-Dichloro-3-Fluorobenzonitrile is a fine chemical intermediate. It is rare and expensive, and its price often fluctuates with market changes.
First, price range
For this product on the market, the price of high purity is about RMB 1,200 to 2,500 per kilogram. The price tends to be lower when the quantity is large, and slightly higher when the quantity is small. The price of super pure products and customized specifications has also increased.
Second, influencing factors
Purity level: the higher the purity, the higher the price; generally 99% purity, the price is medium; high purity ≥ 99.9%, the price is high.
Purchase quantity: bulk purchase, the price is more favorable; small purchase, the unit price is higher.
Supplier source: domestic and imported prices are different, imports are generally slightly higher, but the quality is stable, users weigh more.
Market supply and demand: if demand is strong and supply is tight, the price will rise; otherwise, it will fall.
Logistics and tariffs: transportation costs and taxes also affect the final transaction price.
Third, market changes
In recent years, due to fluctuations in global chemical raw materials and the strengthening of environmental protection regulations, prices have risen slightly compared with previous years. In addition, emerging downstream demand has expanded, and the market continues to be active.
