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Product Name | 3-(4-Chloro-2-fluorophenyl)acrylic acid |
Cas Number | 882233-51-6 |
Formula | C9H6ClFO2 |
Molar Mass | 200.59 g/mol |
Melting Point | Not Available |
Boiling Point | Not Available |
Density | Not Available |
Solubility | Not Available |
Appearance | Not Available |
Color | Not Available |
Odor | Not Available |
Ph | Not Available |
Stability | Stable under recommended storage conditions |
Hazard Statements | Not Available |
Flash Point | Not Available |
What are the applications of 3-(4-Chloro-2-fluorophenyl)acrylic acid?
3-(4-Chloro-2-fluorophenyl)acrylic acid is a chemical compound with several important applications.
One of its significant applications is in the field of pharmaceuticals.Pharmaceuticals is one of its most important applications. Compounds with similar structures often serve as key intermediates in the synthesis of drugs.Compounds of similar structure are often used as intermediates in the drug synthesis process. The unique combination of the chloro and fluoro substituents on the phenyl ring, along with the acrylic acid moiety, can confer specific biological activities.The unique combination between the fluoro and chloro substituents at the phenyl rings, together with the acrylic acid moiety can confer specific biological activity. These activities might include antibacterial, antifungal, or anti - inflammatory properties.These activities could include antibacterial or antifungal properties. By incorporating 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid into drug synthesis routes, researchers can potentially develop novel medications to treat various diseases.Researchers can develop novel medications by incorporating 3-(4-Chloro -2 - Fluorophenyl-acrylic acid) into drug synthesis routes.
In the agrochemical industry, this compound can also play a role.This compound can play a part in the agrochemical sector. It can be used as a building block for creating pesticides or herbicides.It can be used to create pesticides and herbicides. The presence of the halogenated phenyl group can enhance the compound's ability to interact with specific biological targets in pests or unwanted plants.The presence of a halogenated group in the phenyl can enhance the compound’s ability to interact specifically with biological targets found in pests or unwanted plant species. For example, it might interfere with key metabolic pathways in insects or disrupt the growth and development of weeds.It could, for example, interfere with key metabolic pathways of insects or disrupt weed growth. This makes it a valuable component in formulating effective and environmentally - friendly agrochemical products.It is therefore a valuable ingredient in the formulation of environmentally-friendly and effective agrochemicals.
The chemical can also be utilized in materials science.The chemical can be used in materials science. It can be polymerized or copolymerized with other monomers to create specialty polymers.It can be copolymerized or polymerized with monomers to produce specialty polymers. The unique functional groups on 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid can introduce specific properties to the resulting polymers.The unique functional groups of 3-(4-Chloro -2-fluorophenyl-acrylic acid) can impart specific properties to polymers. For instance, the halogen atoms can improve the polymer's thermal stability, flame - retardant properties, or its interaction with other substances at the molecular level.The halogen atoms, for example, can improve a polymer's thermal properties, flame retardant properties, and its interaction with other substances on a molecular basis. These polymers can then be used in applications such as coatings, where the desired properties like durability, chemical resistance, and adhesion can be enhanced.These polymers are then used in coatings where desired properties such as durability, chemical resistance and adhesion can enhanced.
Furthermore, in organic synthesis research, 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid serves as a valuable starting material.In organic synthesis, 3-(4-Chloro- 2-Fluorophenyl-)acrylic acid is a valuable starting substance. Chemists can perform various chemical reactions on its functional groups, such as esterification, amidation, or addition reactions.Chemists are able to perform a variety of chemical reactions using its functional groups. These include esterification, amidation or addition reactions. These reactions allow for the creation of a diverse range of organic compounds with potentially interesting properties and applications, expanding the scope of available chemical entities for further study and development.These reactions can be used to create a wide range of organic compounds that have interesting properties and applications.
What are the properties of 3-(4-Chloro-2-fluorophenyl)acrylic acid?
3-(4 - Chloro - 2 - fluorophenyl)acrylic acid is an organic compound with several notable properties.3-(4-Chloro-2-Fluorophenyl-)acrylic acid, an organic compound, has several notable properties.
Physical properties
In terms of appearance, it is likely to be a solid at room temperature.It is likely that it will appear as a solid when at room temperature. Many aromatic carboxylic acids, which this compound belongs to due to the presence of the phenyl ring and the carboxylic acid group, exist as solids.As a solid, many aromatic carboxylics, to which this compound belongs due to the presence the phenyl group and the carboxylic groups, exist. This is because of the relatively strong intermolecular forces at play.This is due to the relatively strong intermolecular force at work. The carboxylic acid group can form hydrogen bonds with other molecules of the same compound.The carboxylic group can form hydrogen bond with other molecules in the compound. These hydrogen bonds hold the molecules together in a relatively ordered manner, resulting in a solid state.These hydrogen bonds hold molecules together in an ordered manner, leading to a solid state.
Regarding solubility, it has limited solubility in water.It has a limited solubility when it comes to water. The non - polar nature of the chloro - and fluoro - substituted phenyl ring dominates over the polar carboxylic acid group in terms of solubility behavior in water.In terms of solubility in water, the non-polar nature of the fluoro- and chloro- substituted phenyl rings dominates the polar carboxylic acids. However, it may show better solubility in polar organic solvents such as ethanol, methanol, or dimethyl sulfoxide (DMSO).It may be more soluble in polar organic solutions such as ethanol or methanol. The carboxylic acid group can interact with the polar parts of these solvents through hydrogen bonding, and the non - polar phenyl ring can interact with the non - polar regions of the organic solvents through van der Waals forces.The carboxylic group can interact through hydrogen bonds with the polar parts in these organic solvents, while the non-polar phenyl rings can interact through van der Waals interactions with the non-polar regions.
Chemical properties
The carboxylic acid group (-COOH) is highly reactive.The carboxylic acid group is highly reactive. It can undergo typical acid - base reactions.It can undergo typical acid-base reactions. For example, it can react with bases such as sodium hydroxide (NaOH) to form the corresponding carboxylate salt and water.It can, for example, react with bases like sodium hydroxide to form the carboxylate salts and water. This reaction is a common characteristic of carboxylic acids and is used in various chemical processes for the isolation and purification of such compounds.This reaction is a characteristic of carboxylic acid and is used to isolate and purify such compounds.
The double bond in the acrylic acid part of the molecule is also a site of reactivity.The double bond of the acrylic acid molecule is a reactivity site. It can participate in addition reactions.It can also participate in other reactions. For instance, it can react with hydrogen in the presence of a suitable catalyst (such as palladium on carbon) in a hydrogenation reaction to convert the double bond into a single bond.It can, for example, react with hydrogen when a catalyst is present (such as palladium and carbon) to convert a double bond into a one-bond in a hydrogenation. Additionally, it can react with electrophiles in electrophilic addition reactions.It can also react with electrophiles during electrophilic additions. For example, it can react with bromine to form a dibromo - substituted product across the double bond.It can, for example, react with bromine in order to form a dibromo-substituted product across the double bonds.
The chloro and fluoro substituents on the phenyl ring also influence the reactivity.The reactivity is also affected by the chloro and fluoro substitutes on the phenyl rings. Fluorine is a highly electronegative atom, and its presence can withdraw electron density from the phenyl ring.Fluorine, a highly-electronegative atom can remove electron density from phenyl rings. This can make the phenyl ring less reactive towards electrophilic aromatic substitution compared to an unsubstituted phenyl ring.This can make phenyl rings less reactive to electrophilic aromatic substitutes compared to a phenyl without substitution. The chloro group, while also electron - withdrawing, is less electronegative than fluorine but still has an impact on the reactivity of the aromatic ring.While also electron-withdrawing, the chloro group is less electronegative than the fluorine, but still has a significant impact on the reactivity. These halogen substituents can also participate in substitution reactions under appropriate conditions, although reactions involving the carboxylic acid and double bond are often more facile under common reaction conditions.These halogen substitutes can also be used in substitution reactions, but reactions involving carboxylic acids and double bonds are usually easier to perform under standard conditions. Overall, 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid has a combination of physical and chemical properties that make it an interesting compound for synthetic chemistry and potentially for applications in the pharmaceutical or agrochemical industries.Overall, 3-(4-Chloro- 2-Fluorophenyl-)acrylic acid is a compound with a combination physical and chemical properties. It could be used in the pharmaceutical and agrochemical industries.
How is 3-(4-Chloro-2-fluorophenyl)acrylic acid synthesized?
The synthesis of 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid can be achieved through several methods.Multiple methods can be used to synthesize 3-(4-Chloro -2-fluorophenyl-acrylic acid). One common approach involves a multi - step process.One common method involves a multi-step process.
Step 1: Preparation of the starting materialStep 1 - Preparation of the initial material
Typically, 4 - chloro - 2 - fluorobenzaldehyde is used as a key starting compound.As a starting compound, 4 – chloro – 2 – fluorobenzaldehyde can be used. This aldehyde can be synthesized through methods such as halogenation reactions of 2 - fluorobenzaldehyde followed by appropriate substitution reactions to introduce the chlorine atom at the 4 - position.This aldehyde is synthesized by halogenation reactions with 2 - Fluorobenzaldehyde, followed by appropriate substitutions to introduce the chlorine at the 4'position.
Step 2: Knoevenagel condensation
The 4 - chloro - 2 - fluorobenzaldehyde is reacted with a compound containing an active methylene group, such as malonic acid, in the presence of a base catalyst.In the presence of a catalyst, the 4 - chloro-2 - fluorobenzaldehyde reacts with a compound that contains an active methylene, such as malonic acids. Pyridine is often used as a base in this reaction.In this reaction, pyridine is commonly used as a catalyst. The reaction proceeds as follows:The reaction proceeds in the following way:
The base deprotonates the malonic acid, generating a carbanion.The base deprotonates malonic acid to produce a carbanion. This carbanion then attacks the carbonyl carbon of the 4 - chloro - 2 - fluorobenzaldehyde.This carbanion attacks the carbonyl of the 4 – chloro – 2 – fluorobenzaldehyde. After a series of proton transfer and elimination steps, the intermediate product 3-(4 - Chloro - 2 - fluorophenyl)propenoic acid (the desired acrylic acid derivative) is formed along with the elimination of carbon dioxide from the malonic acid moiety.
The reaction conditions need to be carefully controlled.The reaction conditions must be carefully monitored. The temperature is usually maintained around reflux conditions (the boiling point of the reaction mixture) for a certain period, often several hours, to ensure complete reaction.To ensure complete reaction, the temperature is maintained at or near reflux conditions (the boiling points of the reaction mixture). This can take several hours.
Step 3: Purification
After the reaction is complete, the reaction mixture contains the product along with unreacted starting materials, by - products, and the base catalyst.The reaction mixture will contain the product, unreacted materials, by-products, and the catalyst base. Purification is necessary to obtain pure 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid.Purification is required to obtain pure 3-(4-Chloro -2-fluorophenyl-acrylic acid). One common purification method is recrystallization.Recrystallization is a common method of purification. The crude product is dissolved in a suitable solvent system, such as a mixture of ethanol and water.The crude product is dissolved into a suitable solvent, such as water and ethanol. As the solution is cooled slowly, the pure product crystallizes out, leaving impurities in the solution.As the solution cools slowly, the pure product separates, leaving the impurities behind. Filtration can then be used to separate the crystals, which are then dried to obtain the final pure 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid.Filtration is used to separate the crystals. These are then dried, resulting in the final pure 3-(4-Chloro -2-fluorophenyl-acrylic acid). Another purification option could be column chromatography, where the mixture is passed through a column packed with an appropriate stationary phase (like silica gel), and the product is eluted with a suitable mobile phase, separating it from other components based on differences in their affinities for the stationary and mobile phases.Column chromatography is another option for purification. The mixture is passed over a column filled with an appropriate stationary phase like silica gel, and the product is then eluted using a mobile phase.
What is the toxicity of 3-(4-Chloro-2-fluorophenyl)acrylic acid?
3-(4-Chloro-2-fluorophenyl)acrylic acid is a chemical compound. Regarding its toxicity, specific detailed toxicity data might be somewhat limited as it is not as well - studied as some more common industrial or pharmaceutical chemicals.Specific detailed toxicity data may be limited, as it has not been studied as thoroughly as other industrial or pharmaceutical chemicals.
In general, when assessing the toxicity of organic acids like this one, several aspects need to be considered.When assessing the toxicity, it is important to consider several factors. Acute toxicity typically refers to the adverse effects that occur shortly after a single exposure.Acute toxicity is the term used to describe adverse effects that appear shortly after an exposure. In animal studies, if a large dose of 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid is administered acutely, it could potentially cause irritation to the gastrointestinal tract if ingested.In animal studies, a large dose (3-(4-Chloro- 2 – fluorophenyl-acrylic acid) is given acutely and could cause irritation of the gastrointestinal tract when ingested. This might lead to symptoms such as nausea, vomiting, and diarrhea.This could cause symptoms such as nausea and vomiting. If it comes into contact with the skin, depending on its concentration, it could cause skin irritation, redness, and in more severe cases, burns.Depending on the concentration, it can cause skin irritation, redness and, in more severe cases burns. Inhalation of its dust or vapors, if it were in a form that could be aerosolized, might irritate the respiratory tract, leading to coughing, shortness of breath, and potentially more serious lung - related issues.If it is in a form which can be aerosolized, the dust or vapors could irritate respiratory tracts, causing coughing, shortness breath, and possibly more serious lung-related issues.
Chronic toxicity, which involves long - term or repeated exposure, is also a concern.Chronic toxicity is also a problem, involving long-term or repeated exposure. Long - term ingestion of small amounts of this compound could potentially disrupt normal physiological functions.Ingestion of small amounts for a long time could disrupt normal physiological functions. For example, it might interfere with metabolic processes in the body.It could interfere with metabolic processes within the body, for example. The presence of the chloro and fluoro substituents on the phenyl ring can affect how the body processes the compound.The presence of chloro and fluoro substitutes on the phenyl rings can affect the way the body processes the compound. These halogen atoms can make the molecule more lipophilic, potentially allowing it to accumulate in fatty tissues over time.These halogens can make the compound more lipophilic and allow it to accumulate over time in fatty tissue. This accumulation could then have implications for organ function, especially in organs that are rich in fat, such as the liver and kidneys.This accumulation may have implications for organ functions, especially in organs rich in fat such as the kidneys and liver.
However, without specific experimental data, it is difficult to precisely quantify its LD50 (lethal dose 50, the dose at which 50% of the test animals die) values for different exposure routes (oral, dermal, inhalation).It is difficult to quantify the LD50 values (lethal dose 50 - the dose at or above which 50% of test animals die) for different exposure routes. To fully understand its toxicity, comprehensive toxicological studies would be required, including in - vitro tests using cell lines to study cytotoxicity, genotoxicity tests to check for DNA damage, and in - vivo animal studies to observe the overall physiological and pathological responses.To fully understand the toxicity of 3-(4 - Chloro - 2 - Fluorophenyl)acrylic acid, comprehensive toxicological tests would be needed. These tests would include in-vitro tests using cell line to study cytotoxicity and genotoxicity to check for DNA damages, as well as in-vivo animal studies that observe the overall physiological responses. These studies would help in establishing safety guidelines and regulatory limits for the handling and use of 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid.These studies will help establish safety guidelines and regulatory limitations for the handling and usage of 3-(4-Chloro -2 - Fluorophenyl-acrylic acid).
What are the safety precautions for handling 3-(4-Chloro-2-fluorophenyl)acrylic acid?
When handling 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid, several safety precautions are necessary.Safety precautions must be taken when handling 3-(4-Chloro -2 - Fluorophenyl-acrylic acid).
First, personal protective equipment should be worn.Wearing personal protective equipment is the first step. This includes appropriate gloves.This includes gloves. Chemical - resistant gloves made of materials like nitrile or neoprene can prevent skin contact.Chemical-resistant gloves made from materials like nitrile and neoprene will prevent skin contact. The acid can cause skin irritation, and direct contact may lead to burns, rashes, or other skin - related issues.Direct contact with the acid can cause irritation and burns. Wearing gloves helps create a barrier between the chemical and the skin.Wearing gloves creates a barrier between skin and the chemical.
Eye protection is also crucial.Eye protection is equally important. Safety goggles or a face shield should be used.Safety goggles or face shields should be worn. If the acid splashes into the eyes, it can cause severe eye damage, including irritation, redness, and potentially vision - threatening problems.If the acid splashes in the eyes, it could cause severe eye damage including irritation, redness and vision-threatening problems. The eye protection ensures that any accidental splashes are deflected away from the eyes.The eye protection will deflect any accidental splashes away from your eyes.
In terms of respiratory protection, if there is a risk of inhalation of dust or fumes of 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid, a suitable respirator should be worn.If there is a possibility of inhaling dust or fumes from 3-(4-Chloro-2-fluorophenyl-acrylic acid), a respirator is recommended. Inhalation of the chemical can irritate the respiratory tract, leading to coughing, shortness of breath, and in more severe cases, damage to the lungs.Inhaling the chemical can cause irritation of the respiratory tract. This can lead to coughing and shortness of breathe, or in more serious cases, lung damage. A respirator with the appropriate filter for organic chemicals can help prevent inhalation of harmful particles.A respirator fitted with a filter that is suitable for organic chemicals will help to prevent the inhalation harmful particles.
When working with this acid, it should be done in a well - ventilated area.It is important to work in an area that is well-ventilated when working with this acid. A fume hood is an ideal location as it can effectively remove any fumes or vapors that may be released during handling.A fume hood can be used to remove any fumes and vapors released during handling. Good ventilation helps to keep the concentration of the chemical in the air at a safe level, reducing the risk of inhalation exposure.Good ventilation can help to reduce the risk of exposure by keeping the concentration of chemical in the air below a dangerous level.
During storage, 3-(4 - Chloro - 2 - fluorophenyl)acrylic acid should be stored in a cool, dry place, away from heat sources and incompatible substances.Storage of 3-(4-Chloro-2-fluorophenyl-acrylic acid) should be done in a cool and dry place away from heat sources or incompatible substances. It should be stored in a properly labeled container to avoid confusion.To avoid confusion, it should be stored in an appropriately labeled container. Additionally, the storage area should be locked to prevent unauthorized access.The storage area should also be locked to prevent unauthorized entry.
In case of skin contact, immediately wash the affected area with plenty of water for at least 15 minutes and seek medical attention if irritation persists.If skin contact occurs, wash the area thoroughly with water for at least fifteen minutes. Seek medical attention if irritation continues. If it gets into the eyes, rinse the eyes thoroughly with water for an extended period and seek immediate medical help.If it gets in the eyes, wash them thoroughly with water and seek immediate medical attention. In the event of inhalation, move to fresh air and get medical assistance if breathing difficulties occur.If you inhale the substance, get to fresh air as soon as possible and seek medical attention if you experience breathing difficulties.