Chemical Formula | C8H6FN |
Molar Mass | 135.14 g/mol |
Appearance | Colorless to light yellow liquid |
Boiling Point | 222 - 224 °C |
Density | 1.15 g/cm³ (approximate) |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in many organic solvents like ethanol, ether |
Flash Point | 92 °C |
Refractive Index | 1.521 - 1.525 |
Chemical Formula | C8H6FN |
Molecular Weight | 135.14 |
Appearance | Colorless to light yellow liquid |
Boiling Point | 215 - 217 °C |
Density | 1.148 g/cm³ (approximate) |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents like ethanol, ether |
Flash Point | 91 °C |
Refractive Index | 1.513 - 1.515 |
Name | 2-fluoro-benzeneacetonitrile |
Molecular Formula | C8H6FN |
Molecular Weight | 135.14 |
Cas Number | 399-52-0 |
Appearance | Colorless to light yellow liquid |
Boiling Point | 214 - 215 °C |
Melting Point | N/A |
Density | 1.127 g/cm³ |
Flash Point | 91 °C |
Solubility | Insoluble in water, soluble in organic solvents |
Purity | Typically high purity available, e.g., 98%+ |
What are the main uses of 2-fluoro-benzeneacetonitrile?
2-Fluorophenylacetonitrile is also an organic compound. It has a wide range of uses and has important applications in the fields of medicine, pesticides and materials.
In the field of medicine, it is often a key intermediate. It can participate in the synthesis of drug molecules with specific biological activities through a series of chemical reactions. For example, it can be used to develop anti-tumor drugs. Due to its structural properties, it can interact with specific targets in tumor cells or block the growth signaling pathway of tumor cells, thereby inhibiting the proliferation of tumor cells, providing new strategies and potential drugs for cancer treatment.
In the field of pesticides, 2-fluorophenylacetonitrile is also an important synthetic raw material. On this basis, high-efficiency pesticides, fungicides and other pesticide products can be synthesized. Such pesticides can precisely act on specific physiological processes of pests, such as interfering with the nerve system conduction of pests, or inhibiting the cell wall synthesis of pathogenic bacteria, effectively controlling crop diseases and pests, improving crop yield and quality, and ensuring stable agricultural production.
In the field of materials, 2-fluoro-phenylacetonitrile can participate in the synthesis of high-performance materials. For example, in the preparation of some special polymer materials, the introduction of its structural units can improve the physical and chemical properties of materials, such as enhancing material stability, heat resistance and mechanical properties. These high-performance materials can be used in high-end fields such as aerospace and electronics to meet the strict performance requirements of materials in related fields.
In summary, 2-fluoro-phenylacetonitrile plays an important role in the modern chemical industry and related fields, and its diverse uses promote the development and progress of the pharmaceutical, pesticide, and materials industries.
What are the physical properties of 2-fluoro-benzeneacetonitrile?
2-Fluoro-phenylacetonitrile is also an organic compound. Its physical properties have the following numbers.
Looking at its properties, under room temperature and pressure, 2-fluoro-phenylacetonitrile is a colorless to light yellow liquid with a clear and translucent appearance, just like the dew carried by the lotus leaf in the morning, pure and shiny.
On its melting point, it is about -15 ° C, just like the lake water will not condense in winter. This temperature limit allows it to maintain its liquid agility at lower temperatures. The boiling point of
is about 220-222 ° C. When the temperature rises to this point, the substance is like a phoenix nirvana, transforming from liquid to gaseous, realizing the transformation of the state of matter. During this process, a large amount of heat needs to be absorbed to break the force between molecules.
Its density is about 1.149g/cm ³, which is heavier than water. If it is placed in one place with water, it will be like a stone entering water and sinking to the bottom. This density characteristic is derived from the characteristics of its molecular structure and constituent elements. The atoms are closely arranged, giving it a specific mass and volume relationship.
In terms of solubility, 2-fluoro-phenylacetonitrile is soluble in many organic solvents, such as ethanol, ether, etc., just like a fish entering water, it fuses seamlessly. This solubility is due to the combination of the polarity of its molecules and the polarity of the organic solvent molecules, and follows the principle of similar dissolution. However, its solubility in water is very small, and the two are like two parallel lines that never intersect, making it difficult to blend. This is due to the difference in the force between water molecules and 2-fluoro-phenylacetonitrile molecules.
In addition, 2-fluoro-phenylacetonitrile has a certain volatility. In the air, the molecule is like an active spirit and gradually dissipates. However, its volatility is milder than that of some low-boiling substances.
These are the general physical properties of 2-fluoro-phenylacetonitrile, which plays an important role in organic synthesis and other fields due to its various properties.
What is the chemistry of 2-fluoro-benzeneacetonitrile?
2-Fluoro-phenylacetonitrile has unique chemical properties and is of great research value. This is an organic compound composed of a benzene ring, fluorine atoms, and acetonitrile groups.
First of all, its physical properties, 2-fluoro-phenylacetonitrile is mostly colorless to light yellow liquid at room temperature, and has a special smell. Its physical constants such as boiling point and melting point are closely related to the interaction and structure of atoms in the molecule. Due to the polar group acetonitrile group and fluorine atom in the molecule, its molecular polarity is enhanced, which has a great impact on its solubility in different solvents. In general, it has good solubility in polar organic solvents such as ethanol and acetone, but relatively small solubility in non-polar solvents such as n-hexane.
In terms of chemical properties, the presence of acetonitrile groups endows 2-fluoro-phenylacetonitrile with many active reaction properties. Nitrile groups can undergo hydrolysis reactions. Under acid or alkali catalysis conditions, the nitrile groups are gradually converted into carboxyl groups, which form amide intermediates and eventually become carboxylic acids. For example, in an acidic environment, with strong acids such as sulfuric acid as catalysts, 2-fluoro-phenylacetonitrile is hydrolyzed to produce 2-fluoro-phenylacetic acid after heating reaction. This reaction is commonly used in the preparation of fluorine-containing aromatic acids in organic synthesis
Furthermore, although fluorine atoms on the benzene ring have certain stability, they can also participate in the reaction under certain conditions. Due to the large electronegativity of fluorine atoms, the electron cloud density distribution of the benzene ring is affected, which changes the electrophilic substitution activity on the benzene ring compared with benzene. For example, during the halogenation reaction, the reaction check point and rate will be different from the halogenation reaction of benzene due to the localization effect of fluorine atoms. Under suitable catalysts and reaction conditions, fluorine atoms are more prone to electrophilic substitution at o and para-sites, which provides the possibility for the introduction of other functional groups at specific positions in the benzene ring.
2-fluoro-phenylacetonitrile can also participate in some reactions with metal-organic reagents. If reacted with Grignard reagents, nitrile groups can be added to Grignard reagents, followed by subsequent steps such as hydrolysis, to construct more complex organic compound structures, which are widely used in the field of organic synthetic chemistry and provide important methods and approaches for the preparation of various fluorine-containing organic compounds.
What are 2-fluoro-benzeneacetonitrile synthesis methods?
The synthesis method of 2-fluoro-phenylacetonitrile is really very general. The ancient books of the past often carry several paths, and the following is a detailed description for you.
First, take 2-fluoro-bromobenzene as the starting material and first react with magnesium chips to obtain Grignard's reagent. This process needs to be done carefully in an inert solvent such as anhydrous ether. Because Grignard's reagent is quite active, it decomposes in contact with water. After the Grignard reagent is obtained, it reacts with ethyl cyanoacetate. After the reaction of the two is completed, through hydrolysis, decarboxylation and other steps, 2-fluoro-phenylacetonitrile can be obtained. When hydrolyzing, it is necessary to choose suitable acid and base conditions to promote the smooth reaction; the decarboxylation step also needs precise temperature control to obtain a pure product.
Second, use 2-fluoro-benzoic acid as the starting material. First convert it into acid chloride, which can be achieved by reagents such as thionyl chloride. The activity of acid chloride is greatly increased, and then react with sodium cyanide in a suitable solvent to introduce a cyano group. However, sodium cyanide is highly toxic, and the operation must be cautious. In a well-ventilated place, strictly follow the procedures. After the reaction is completed, 2-fluoro-phenylacetonitrile can also be obtained after appropriate post-treatment, such as extraction and distillation.
Third, the direct reaction of 2-fluoro-benzyl chloride with sodium cyanide is a more direct method. However, it should be noted that the choice of reaction solvent is very important. Polar aprotic solvents such as dimethyl sulfoxide are commonly used to react with nucleophilic substitution of cyanobenzene anions. At the same time, the reaction process needs to be closely monitored, because sodium cyanide is very toxic, and if the conditions of this reaction are improper, it is easy to have side reactions, resulting in impure products.
The above methods have their own advantages and disadvantages. When synthesizing, when the appropriate method is carefully selected according to the actual situation, such as the availability of raw materials, cost, equipment conditions, etc., 2-fluoro-phenylacetonitrile can be efficiently obtained.
2-fluoro-benzeneacetonitrile what are the precautions during use
2-Fluorophenylacetonitrile is an important raw material in organic synthesis. When using it, many matters need to be paid attention to.
First, safety protection should not be taken lightly. This substance is toxic and irritating, or causes damage to the human body. When operating, be sure to wear appropriate protective equipment, such as protective gloves, goggles, and gas masks, to prevent skin contact and inhalation. In case of inadvertent contact, rinse with plenty of water immediately and seek medical assistance according to the specific situation.
Second, storage conditions should also be paid attention to. Store it in a cool, dry and well-ventilated place, away from fire and heat sources. Because of its flammability, in case of open flame, hot topic or cause combustion explosion, it needs to be stored separately from oxidants, acids, etc., and must not be mixed to avoid dangerous chemical reactions.
Third, the use process needs to be strictly operated. Accurate weighing and measurement is the key to ensure the accuracy of the experiment or production. At the same time, the operation should be rapid to prevent it from being exposed to the air for a long time. Because of its chemical properties, it is more active, or reacts with some components in the air, which affects its quality and performance.
Fourth, the operation related to chemical properties cannot be ignored. Knowing its characteristics under different reaction conditions can ensure the smooth progress of the reaction. For example, in some organic reactions, the cyanyl group and fluorine atom of 2-fluoro-phenylacetonitrile can participate in the reaction. It is necessary to reasonably control the reaction conditions, such as temperature, pH and reaction time, according to the specific reaction requirements, so as to promote the reaction in the desired direction and avoid side reactions.
In short, when using 2-fluoro-phenylacetonitrile, all aspects from safety protection to storage, access and chemical related operations need to be treated carefully to ensure the safety and efficiency of the use process.