Chemical Formula | C8H3F N2O4 |
Molar Mass | 210.12 g/mol |
Appearance | Solid |
Melting Point | 94 - 98 °C |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents |
Purity | Typically high purity in commercial products |
Stability | Stable under normal conditions |
Hazard Class | Irritant |
Chemical Formula | C8H3FN2O4 |
Molar Mass | 210.12 g/mol |
Appearance | Solid |
Color | Pale yellow to off - white |
Melting Point | 125 - 129 °C |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform |
Stability | Stable under normal conditions, but may react with strong oxidizing agents |
Chemical Formula | C8H3F N2 O4 |
Molar Mass | 210.12 g/mol |
Appearance | Solid (likely white to off - white) |
Solubility In Water | Low (due to non - polar aromatic and nitrile groups) |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, toluene |
Vapor Pressure | Low at room temperature (due to solid nature) |
Stability | Stable under normal conditions, but can react with strong reducing or oxidizing agents |
What are the chemical properties of 4-Fluorobenzene-1,3-dinitrile?
4-Fluorobenzene-1,3-dinitrile is also an organic compound. Its chemical properties are particularly important and are related to many chemical reactions.
In this compound, the fluorine atom and the dinitrile group co-exist on the benzene ring. The fluorine atom has the characteristics of high electronegativity, which can affect the electron cloud distribution of the molecule, resulting in a unique chemical activity state. Nitrile group (-CN) is also an active functional group and can participate in many reactions.
For nucleophilic substitution reactions, the electron cloud density of the benzene ring changes due to the presence of fluorine atoms. Under appropriate conditions, fluorine atoms can be replaced by nucleophilic reagents. Nucleophiles are electron-rich and can attack the carbon atoms attached to fluorine on the benzene ring to form new chemical bonds, and the fluoride ions leave. The rate and selectivity of this reaction are affected by factors such as reaction conditions, the activity of nucleophiles, and the structure of the substrate.
Nitrile groups also exhibit active chemical properties. Nitrile groups can be hydrolyzed and converted to carboxyl groups (-COOH) or amide groups (-CONH ²) under the catalysis of acids or bases. During the hydrolysis process, amide intermediates are formed first, and then further hydrolyzed to carboxylic acids. This property is an important path for the construction of compounds containing carboxyl groups or amide groups in organic synthesis.
In addition, the conjugated system of 4-fluorobenzene-1,3-dinitrile makes it have special responses in light, electricity, etc. The delocalization of intra-molecular electrons, or the absorption of specific wavelengths of light, has potential applications in the field of photochemistry. And because of its electronic structure, or in the study of organic semiconductor materials, it is a key compound for exploring the properties of new materials.
In short, the chemical properties of 4-fluorobenzene-1,3-dinitrile are rich and diverse, and are of great significance in many fields such as organic synthesis and materials science. It provides many opportunities for chemists to explore new reactions and develop new materials.
What are the main uses of 4-Fluorobenzene-1,3-dinitrile?
4-Fluorobenzene-1,3-dinitrile (4-fluoroisophthalonitrile) is also an organic compound. It has a wide range of uses and has important applications in various fields of chemical industry.
First, in the process of pharmaceutical synthesis, it is often a key intermediate. It can be combined with other compounds through a series of chemical reactions to prepare drug molecules with specific pharmacological activities. For example, for the development of some new drugs with antibacterial and anti-inflammatory properties, 4-fluoroisophthalonitrile can be used as a starting material to construct the core structure of the drug through multi-step reaction, and the special reaction activity of the fluorine atom and the nitrile group it contains endows the drug with unique biological activity and pharmacokinetic properties.
Second, in the field of materials science, it also plays an important role. It can be used to prepare high-performance polymer materials. Using it as a raw material, through polymerization, polymer materials with special properties can be synthesized, such as excellent heat resistance and chemical stability. Such polymer materials can be used in high-end fields such as electronic and electrical components, aerospace materials, etc., to meet their strict requirements for high-performance materials.
Third, in the creation of pesticides, 4-fluoro-isophthalonitrile also shows unique value. It can be used as a key component in the synthesis of new pesticides. With its chemical structure characteristics, pesticide varieties with high insecticidal, bactericidal or herbicidal activities can be designed and synthesized. The introduction of fluorine atoms can enhance the interaction between pesticide molecules and relevant receptors in target organisms, improve the biological activity and selectivity of pesticides, reduce the impact on non-target organisms, and achieve the goal of creating green and efficient pesticides.
What is the synthesis method of 4-Fluorobenzene-1,3-dinitrile?
To prepare 4-fluorobenzene-1,3-dinitrile, the following ancient method can be used.
First take an appropriate amount of 4-fluorobenzoic acid as the starting material, which is the basis for preparation. Sulfuryl chloride is heated with it, sulfuryl chloride is active, and reacts with 4-fluorobenzoic acid to convert its carboxyl group into an acid chloride to obtain 4-fluorobenzoyl chloride. This step requires temperature control to make the reaction proceed smoothly, and does not cause the product to decompose or side reactions to breed due to excessive temperature.
The 4-fluorobenzoyl chloride prepared is taken at times and reacted with cuprous cyanide in a suitable organic solvent. The cyanyl group in cuprous cyanide has high activity and can replace the chlorine atom of acyl chloride. After nucleophilic substitution, 4-fluorobenzonitrile is produced. This reaction needs to be protected by inert gas to prevent the oxidation of cuprous cyanide, which affects the reaction process and product purity.
After 4-fluorobenzonitrile is obtained, it is reacted with a mixed acid system of nitric acid and sulfuric acid. Under the catalysis of sulfuric acid, nitric acid has strong oxidation and nitrification ability, and can introduce nitro groups at specific positions in the benzene ring. Due to the distribution characteristics of electron clouds in the benzene ring and the localization effect of fluorine atoms, nitro groups are mainly introduced at the 3-position to generate 4-fluoro- In this step, the proportion of mixed acid, reaction temperature and time are all critical, and it needs to be carefully regulated, otherwise the nitro group will introduce positional deviation or excessive nitrification, which will affect the quality of the product.
Finally, with a suitable reducing agent, such as lithium aluminum hydride or Raney nickel and hydrogen system, the cyano group and nitro group of 4-fluoro-3-nitrobenzonitrile are reduced at the same time, and the reduction conditions are mild and controllable, so that the cyano group is converted into a nitrile group, and the nitro group is converted into an amino group. After proper treatment, the amino group can be converted into a cyano group, and the final product is 4-fluorobenzene-1,3-dinitrile. After each step of the reaction, it needs to be separated and purified, such as distillation, recrystallization, column chromatography, etc., to remove impurities and obtain pure products.
4-Fluorobenzene-1,3-dinitrile What are the precautions in storage and transportation?
4 - Fluorobenzene - 1,3 - dinitrile is an organic compound. During storage and transportation, many matters need to be paid special attention.
First, it is safe. This compound is toxic and irritating. Operators must wear protective clothing, gloves and goggles to prevent contact with the skin and eyes, and avoid inhaling its volatile gases. In case of accidental contact, rinse with plenty of water immediately and seek medical attention as appropriate.
When storing, keep it in a cool, dry and well-ventilated place. Because it is sensitive to moisture, damp or deterioration, it needs to be kept away from water sources and moisture. Store separately from oxidants, acids, alkalis, etc. to prevent chemical reactions from occurring and causing danger. The storage place should be equipped with suitable materials to contain leaks in order to deal with possible leaks in a timely manner.
During transportation, also ensure that the container is sealed to prevent leakage. Transportation vehicles need to be equipped with corresponding safety facilities and emergency treatment equipment. Strictly abide by transportation regulations, drive according to designated routes, and stay away from dangerous areas such as densely populated areas and fire sources. The loading and unloading process also needs to be handled with caution to avoid damage to the container due to collisions and falls.
In short, the storage and transportation of 4 - Fluorobenzene - 1,3 - dinitrile requires all-round implementation of safety measures, from personnel protection to environmental control, to transportation regulations, and every link should not be neglected, so as to ensure the safety of its storage and transportation and avoid accidents.
What are the effects of 4-Fluorobenzene-1,3-dinitrile on the environment and human health?
4-Fluorobenzene-1,3-dinitrile is an organic compound. However, this substance has potential effects on the environment and human health.
In terms of the environment, it may have a certain chemical stability and is difficult to degrade. If it flows into the natural environment, it may accumulate in soil and water bodies. In the soil, or change the soil quality, it affects the absorption of nutrients and water by plant roots, hinders plant growth and development, and reduces vegetation diversity. In water bodies, it may affect the survival of aquatic organisms. Fish may be exposed to this compound, causing physiological disorders, such as respiratory and circulatory systems, and even death. Plankton are also not spared, and changes in their population numbers may trigger a chain reaction in the food chain of the entire aquatic ecosystem, destroying the ecological balance.
As for personal health, 4-fluorobenzene-1,3-dinitrile may invade the human body through respiratory tract, skin contact or accidental ingestion. Inhalation through the respiratory tract, or irritation of respiratory mucosa, causing cough, asthma, breathing difficulties and other symptoms. Long-term exposure, or damage lung function, increases the risk of respiratory diseases. If skin contact, or cause skin allergic reactions, such as redness, swelling, itching, rash, etc. If ingested by mistake, or damage the digestive system, causing nausea, vomiting, abdominal pain, diarrhea, etc. In severe cases, it may damage the function of important organs such as liver and kidney, because it may interfere with the normal metabolic process of cells and affect the normal operation of organs. Therefore, when we use and dispose of substances containing 4-fluorobenzene-1,3-dinitrile, we should exercise great care to reduce the potential harm to the environment and human health.