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What is the chemical structure of 3-chloro-5-fluorobenzamine?
3-Bromo-5-chlorotoluene is an organic compound. Its molecule contains a benzene ring, which is connected to a bromine atom at position 3 of the benzene ring, a chlorine atom at position 5, and a methyl atom at position 1 of the benzene ring. The structure of this compound is as follows:
-benzene ring: It is a six-membered ring structure, composed of six carbon atoms alternating with single and double bonds (actually a special chemical bond between single and double bonds), and is aromatic. Each of the six carbon atoms has a p-electron that does not participate in the formation of the ring sigma bond, forming a delocalized large π bond, which endows the benzene ring with special stability.
-Bromine atom (-Br): Bromine is a halogen element with a large atomic radius and strong electronegativity. Connecting to the benzene ring Because the electronegativity of bromine is greater than that of carbon, when the bromine atom is connected to the benzene ring, the electron cloud of the benzene ring is shifted to the bromine atom through the induction effect. At the same time, the lone pair of electrons of the bromine atom can be conjugated with the large π bond of the benzene ring to produce the electron-donor conjugation effect. However, the overall induction effect is greater than the conjugation effect, which decreases the density of the electron cloud of the benzene ring, and the activity of the electrophilic substitution reaction is slightly reduced. The substitution localization effect is the ortho-para-localization group.
-chlorine atom (-Cl): It belongs to the same halogen group as bromine, and the electronegativity is also strong. When connected to the benzene ring, the electron cloud density of the benzene ring is also reduced by the induction effect electron absorption; its lone pair electrons can also be conjugated with the large π bond of the benzene ring, and there is a donor electron conjugation effect, but the induction effect is dominant, which also decreases the electrophilic substitution activity of the benzene ring slightly, and the localization effect is also an ortho-para-localization group.
-methyl (-CH 🥰): As the power supply sub-group, the electron cloud density of the benzene ring is increased by the superconjugation effect, thereby enhancing the electrophilic substitution activity of the benzene ring. The localization effect belongs to In 3-bromo-5-chlorotoluene, methyl, bromine and chlorine atoms interact with each other to change the electron cloud density at different positions of the benzene ring, which makes the chemical reactivity and selectivity of the compound unique. In the electrophilic substitution reaction, the entry position of the new substituent is affected by the joint effect of these three substituents.
What are the physical properties of 3-chloro-5-fluorobenzamine?
3-Bromo-5-chlorotoluene is an organic compound with unique physical properties. Its properties are usually colorless to light yellow liquids, stable at room temperature and pressure, and have certain chemical activity due to the structure containing benzene rings and halogen atoms.
Looking at its color and state, 3-bromo-5-chlorotoluene is colorless to light yellow liquid at room temperature, which is helpful for preliminary identification in experiments or industrial production. Its light color distinguishes it from many dark organic liquids, providing convenience for operation and observation.
Let's talk about the melting point and boiling point, the melting point is about -15 ° C, and the boiling point is about 234-236 ° C. The low melting point causes it to be liquid at room temperature, and the high boiling point makes it necessary to reach a specific high temperature when heated to boil and vaporize. This property is crucial in separation and purification. 3-Bromo-5-chlorotoluene can be separated from the mixture by distillation according to the difference in boiling point.
In terms of density, it is about 1.57 g/cm ³, which is larger than water. If mixed with water, it will sink to the bottom. This needs to be considered in the reaction or separation operation of the aqueous phase, which is of great significance for judging its distribution and behavior in the multiphase system.
In terms of solubility, 3-bromo-5-chlorotoluene is insoluble in water, but soluble in most organic solvents, such as ethanol, ether, acetone, etc. The solubility is related to the polarity of the molecule. The benzene ring and the halogen atom make the polarity of the molecule weak. It is insoluble with water, a solvent with strong polarity, but easily miscible with organic solvents with weak polarity. This property is commonly used in organic synthesis. Select a suitable organic solvent to dissolve it for reaction. After the reaction, the solubility difference can also be used to separate the product.
In terms of volatility, its volatility is relatively low, and it evaporates slowly at room temperature. This is an advantage in storage and use, reducing losses due to volatilization and environmental pollution. Storage only requires ordinary sealed containers without special anti-volatilization measures.
In summary, the physical properties of 3-bromo-5-chlorotoluene have a profound impact on its applications in organic synthesis, separation and purification, and storage and use. Familiarity with and utilization of these properties can better control related chemical processes.
What are the main uses of 3-chloro-5-fluorobenzamine?
3-Chloro-5-fluoromethylbenzonitrile is a crucial raw material in the field of organic synthesis, and is widely used in many industries such as medicine, pesticides, and materials.
In the pharmaceutical industry, it is a key intermediate for the synthesis of a variety of drugs. Due to the unique properties of chlorine and fluorine atoms in the molecular structure, it can significantly affect the activity, stability, and fat solubility of drug molecules. For example, by using 3-chloro-5-fluoromethylbenzonitrile as the starting material, through a series of chemical reactions, compounds with specific physiological activities can be synthesized, which is of great significance for the development of therapeutic drugs for certain diseases such as cardiovascular diseases and nervous system diseases. Its unique structure allows the drug to act more precisely on the target, improve the efficacy and reduce side effects.
In the field of pesticides, 3-chloro-5-fluorotoluenonitrile also plays an indispensable role. After chemical modification and transformation, new pesticides with high efficiency, low toxicity and environmental friendliness can be prepared. The introduction of fluorine atoms can enhance the interaction between pesticide molecules and specific receptors in the target organism, and improve the insecticidal, bactericidal or herbicidal activity of pesticides. Some pesticides synthesized from it are highly selective to specific pests or weeds, which can not only effectively control pests and diseases, but also reduce the impact on non-target organisms, meeting the needs of the current green agriculture development.
In the field of materials science, 3-chloro-5-fluorotoluene nitrile can be used to synthesize special polymer materials. The polymerization reaction it participates in can give the material unique properties, such as excellent heat resistance, chemical corrosion resistance and electrical properties. These high-performance materials are widely used in high-end fields such as electronics and aerospace. For example, in the manufacture of electronic devices, it can be used to prepare new insulating materials or semiconductor materials to meet the development needs of miniaturization and high performance of electronic devices.
What are the synthesis methods of 3-chloro-5-fluorobenzamine?
The synthesis of 3-bromo-5-chlorotoluenone is an important topic in the field of organic synthesis. To obtain this compound, there are several common methods as follows.
First, the corresponding halogenated aromatics are used as starting materials. Aromatic hydrocarbons containing bromine and chlorine can be taken first, and they can be combined with acylating agents, such as acetyl chloride or some kind of acid anhydride, under the catalysis of Lewis acid, such as anhydrous aluminum trichloride, to carry out Fu-Ke acylation reaction. In this reaction process, Lewis acid interacts with acylating reagents to form active electrophilic reagents, which then attack the benzene ring of halogenated aromatics, introduce acyl groups at specific positions, and obtain the precursor of the target product. After subsequent appropriate conversion steps, 3-bromo-5-chlorotoluenone can be obtained.
Second, it can also start from another angle. First construct the basic structure of the benzene ring, and then introduce bromine and chlorine atoms at suitable positions through selective halogenation reactions. For example, using a simple benzene derivative as the starting material, using different halogenation reagents and reaction conditions, selectively carry out bromination and chlorination reactions at specific positions on the benzene ring, and accurately locate the substitution check point of bromine and chlorine. After the halogenation is completed, a methyl ketone group is introduced at a suitable position through an acylation reaction. After a series of reaction conditions are optimized and controlled, the target compound can be obtained.
Third, the reaction path catalyzed by transition metals can also be considered. Using aromatic hydrocarbons containing suitable substituents as substrates, with the help of transition metal catalysts, such as complexes of palladium and copper, and reagents such as halogenated alkanes or acyl halides, in the presence of ligands, bases and specific solvents, the structure of the target molecule is gradually constructed through coupling reactions. This method can take advantage of the high selectivity and high efficiency of the transition metal catalytic reaction to accurately introduce bromine, chlorine and methyl ketone groups, and can better control the regioselectivity and stereochemistry of the reaction, providing a novel and efficient way for the synthesis of 3-bromo-5-chlorotoluenone.
All these methods have their own advantages and disadvantages. In the actual synthesis, according to the availability of raw materials, the difficulty of controlling the reaction conditions, the purity requirements of the product and other factors, comprehensive consideration, careful selection of appropriate synthesis methods, in order to achieve the purpose of efficient and high-quality synthesis of 3-bromo-5-chlorotoluenone.
What are the precautions for using 3-chloro-5-fluorobenzamine?
3-Cyanogen-5-fluorophenylacetic acid is an important organic compound and has a wide range of uses in many fields. However, when using it, be sure to pay attention to the following things:
First safety protection. This compound is toxic and irritating, and can be damaged by contact or inhalation. Therefore, when operating, it is necessary to wear suitable protective equipment, such as laboratory clothes, gloves, anti-goggles and gas masks, to prevent skin and eye contact and inhalation of dust or vapor. After operation, wash your hands and face in time to ensure that there is no residue.
Next time, store it properly. It should be placed in a cool, dry and well-ventilated place, away from fire and heat sources. Because the product is sensitive to humidity, temperature or more, improper storage or deterioration will affect its quality and performance. It should also be stored separately from oxidants, acids, alkalis, etc., and must not be mixed to avoid dangerous chemical reactions.
Furthermore, accurately weigh and take. During use, accurately weigh the required amount. Do not over-use, resulting in waste or increased risk. Use clean and dry appliances to avoid impurities from mixing. And the operation should be rapid to reduce its exposure time to air to prevent reactions with air components.
In addition, the use environment should be well ventilated. Whether it is in the laboratory or industrial production environment, it is necessary to ensure that there are effective ventilation facilities, timely discharge of volatile steam, reduce the concentration of harmful substances in the air, in order to prevent the accumulation of poisoning or explosion and other hazards.
Finally, after use, the remaining materials and waste should be properly disposed of. Do not discard at will, in accordance with relevant regulations, use appropriate methods to dispose of to prevent environmental pollution.