Chemical Formula | C8H3ClF3N |
Molecular Weight | 205.564 g/mol |
Appearance | Typically a colorless to pale - yellow liquid |
Boiling Point | Around 213 - 215 °C |
Density | Data may vary, but around 1.4 - 1.5 g/cm³ |
Solubility | Soluble in organic solvents like dichloromethane, toluene, etc., poorly soluble in water |
Vapor Pressure | Low vapor pressure at room temperature |
Flash Point | Appropriate safety handling due to potential flammability, flash point data may be around 80 - 90 °C |
Stability | Stable under normal conditions, but may react with strong oxidizing or reducing agents |
What are the main uses of 2-Chloro-5-cyanobenzotrifluoride?
2-Chloro-5-cyanotrifluorotoluene is also an important agent in organic synthesis. It is widely used in the fields of medicine, pesticides, and materials.
In the field of medicine, it is often a key intermediate for the creation of new drugs. Due to its unique chemical structure, it can interact with specific targets in organisms. Chemists use it to build a complex molecular framework to endow drugs with excellent pharmacological activities, such as antibacterial, antiviral, and anti-tumor effects. For example, through a delicate synthesis path, it can be integrated into active pharmaceutical ingredients to optimize the absorption, distribution, metabolism, and excretion characteristics of drugs, improve efficacy, and reduce side effects.
In the field of pesticides, it also plays an important role. Using it as the starting material, it can prepare high-efficiency, low-toxicity and environmentally friendly pesticides. Due to its special chemical properties, the pesticide can be highly selective to target organisms, accurately attack pests, weeds or pathogens, and reduce the impact on non-target organisms. The prepared pesticide can effectively prevent and control crop diseases and insect pests, ensure crop yield and quality, and is of great significance to the sustainable development of agriculture.
In the field of materials, 2-chloro-5-cyanotrifluorotoluene can be used to prepare high-performance functional materials. Introducing it into the structure of polymer materials can improve the thermal stability, chemical stability and mechanical properties of materials. The materials produced are very popular in high-end fields such as aerospace and electronic information, such as for the manufacture of high-temperature and corrosion-resistant aviation components, or high-stability electronic packaging materials, providing key support for the development of related industries.
What are the physical properties of 2-Chloro-5-cyanobenzotrifluoride?
2-Chloro-5-cyanotrifluorotoluene, this is an organic compound. Its physical properties are as follows:
Viewed at room temperature, it is a colorless to light yellow liquid, clear and transparent, and has no visible impurities. To the eye, its color is distinct and has unique appearance characteristics.
Smell, there is a special smell, but this smell is not a strong pungent, but it can make people keenly aware of its chemical characteristics.
Discuss the melting point, the melting point is quite low, and it is liquid at room temperature; the boiling point is higher, about a certain temperature range. This property allows the compound to maintain liquid stability under specific conditions. In chemical operations, the knowledge of the boiling point is crucial, and it is related to the precise control of distillation, separation and other steps.
Its density is greater than that of water. If it is placed in one place with water, it will sink underwater. This density characteristic is of great significance in experiments or industrial processes involving liquid-liquid separation, and it can be easily separated according to the density difference between it and water.
In terms of solubility, it shows good solubility in organic solvents such as ethanol and ether, and can be mutually soluble with many organic solvents, but it has little solubility in water and is almost insoluble. This solubility characteristic provides an important basis for the selection of solvents in organic synthesis reactions, and often selects organic solvents that are compatible with it to promote the smooth progress of the reaction.
In addition, the vapor pressure of 2-chloro-5-cyanotrifluorotoluene is relatively low at room temperature, and the volatility is weak. This point can reduce the loss and potential harm caused by volatilization during storage and use, which is crucial to ensure the safety of the operating environment and the stability of the compound itself. In summary, the various physical properties are interrelated, which together shape the unique position and application value of this compound in the field of chemistry.
What is the chemistry of 2-Chloro-5-cyanobenzotrifluoride?
2-Chloro-5-cyanotrifluorotoluene is a crucial compound in the field of organic synthesis. Its chemical properties are unique and it plays a key role in many chemical reactions.
In this compound, chlorine atoms, cyano groups and trifluoromethyl groups are all active functional groups. Chlorine atoms have nucleophilic substitution reactivity. Due to the high electronegativity of chlorine atoms in carbon-chlorine bonds, carbon atoms are partially positively charged and vulnerable to nucleophilic reagents. For example, in the presence of appropriate bases and nucleophilic reagents, chlorine atoms can be replaced by hydroxyl groups, amino groups, etc. to generate corresponding alcohol and amine derivatives. This property can be used in drug synthesis to construct molecular structures with specific biological activities. < Br >
Cyanyl groups are also active and can participate in a variety of reactions. For example, they can be converted into carboxyl groups by hydrolysis reaction. This process is often used to prepare compounds containing carboxyl groups and is widely used in fine chemical and pharmaceutical research and development. Furthermore, cyanyl groups can undergo reduction reactions to generate amine groups, providing an important path for the synthesis of nitrogen-containing organic compounds. The introduction of
trifluoromethyl groups greatly affects the physical and chemical properties of compounds. Due to its strong electron absorption, it can change the electron cloud distribution of molecules and enhance the stability and fat solubility of compounds. This makes 2-chloro-5-cyanotrifluorotoluene unique in some reactions or application scenarios that require high stability and good fat solubility, such as in the fields of pesticides and medicine, which helps compounds pass through biofilms and improve bioavailability.
2-chloro-5-cyanotrifluorotoluene exhibits a variety of chemical reactivity due to its active functional groups. It has great application potential in many fields such as organic synthesis, drug development, and materials science, and can lay the foundation for the creation of novel compounds with specific properties.
What is 2-Chloro-5-cyanobenzotrifluoride production method?
2-Chloro-5-trifluoromethylbenzonitrile is an important compound in organic synthesis. The methods for its preparation are common and there are several ends.
One method is to use 2-chloro-5-trifluoromethylbenzoic acid as the starting material. First, it interacts with chlorinated reagents such as thionyl chloride ($SOCl_2 $). Under suitable reaction conditions, such as heating and in an inert solvent, the carboxyl group of benzoic acid reacts with thionyl chloride, and the carboxyl group is converted into an acyl chloride to obtain 2-chloro-5-trifluoromethylbenzoyl chloride. The principle of this reaction is that the chlorine atom of sulfinyl chloride replaces the hydroxyl group in the carboxyl group, and at the same time generates sulfur dioxide and hydrogen chloride gas to escape.
Then, the resulting 2-chloro-5-trifluoromethylbenzoyl chloride is reacted with cyanide reagents such as sodium cyanide ($NaCN $) or potassium cyanide ($KCN $). This reaction is usually carried out in polar aprotic solvents such as dimethylformamide (DMF). The acyl chloride group undergoes a nucleophilic substitution reaction with the cyanyl group, and the chlorine atom is replaced by the cyanyl group to obtain 2-chloro-5-trifluoromethylbenzonitrile. In this process, the cyanide ion attacks the carbonyl carbon of the acyl chloride as a nucleophile, and then the chlorine atom leaves to complete the substitution.
Another method is to start with 2-chloro-5-trifluoromethyl bromobenzene. React with cuprous cyanide ($CuCN $) under suitable ligands and reaction conditions. This reaction needs to be carried out under heat and in the presence of a suitable organic solvent, such as $N $-methylpyrrolidone (NMP). The bromine atom in 2-chloro-5-trifluoromethyl bromobenzene is substituted with the cyanide group of cuprous cyanide to form a carbon-cyanide bond, and then the target product 2-chloro-5-trifluoromethylbenzonitrile is formed. This reaction relies on the interaction between copper reagent and halogenated aromatic hydrocarbons, and the introduction of cyanyl groups is completed through oxidative addition, metallization and reduction elimination.
Furthermore, a suitable aromatic ring can also be used as the starting material to construct the target molecule through a multi-step reaction. Chlorine atoms, trifluoromethyl groups and other groups are introduced into the aromatic ring first, and then cyanyl groups are introduced For example, trifluoromethyl groups can be introduced first by Fu-gram alkylation or acylation reaction, then chlorine atoms can be introduced by halogenation reaction, and finally cyanide groups can be introduced by cyanide reaction. Although this approach has many steps, the synthesis route can be flexibly adjusted according to the specific raw materials and reaction conditions to achieve the best synthesis effect.
What are the precautions in storage and transportation of 2-Chloro-5-cyanobenzotrifluoride?
2-Chloro-5-cyanotrifluorotoluene is also an organic compound. When storing and transporting, many matters must be paid attention to.
When storing, the first environment. It should be placed in a cool and ventilated warehouse, away from fires and heat sources. This compound may be dangerous due to heat or exposure to open flames. The temperature of the warehouse should be properly controlled, generally not exceeding 30 ° C, and the humidity should also be appropriate to prevent its properties from changing.
In addition, when storing, it must be stored separately from oxidants and alkalis, and must not be mixed. If it meets with an oxidizing agent, or reacts violently; contact with alkalis may also cause chemical changes and endanger safety.
The requirements for containers should not be ignored. It must be stored in a sealed container to prevent its volatilization and leakage. And the material of the container should be able to withstand the corrosion of the compound to avoid damage and leakage accidents.
As for transportation, the transportation vehicle must have the corresponding qualifications, and the transportation personnel must be professionally trained, familiar with the characteristics of the compound and emergency disposal methods. During transportation, it should be ensured that the container does not leak, collapse, fall or damage.
The planning of the driving route should also be paid attention to. Avoid passing through densely populated areas and near important facilities. In case of hot weather, it is advisable to transport it in the morning and evening when it is cool to prevent dangerous changes in compounds caused by excessive temperature.
During loading and unloading, caution must also be taken. It should be handled lightly, and it is strictly forbidden to drop and heavy pressure to prevent damage to the container and cause leakage of 2-chloro-5-cyanotrifluorotoluene. If a leak unfortunately occurs, an emergency plan should be activated immediately, and surrounding personnel should be evacuated. Effective leak plugging and cleaning measures should be taken to prevent the harm from expanding.