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Product Name | b,b-Dichloroacrylic acid |
Cas Number | 696-04-8 |
Formula | C3H2Cl2O2 |
Molar Mass | 140.95 |
Melting Point | 38-42°C |
Boiling Point | 203°C |
Density | 1.58 g/cm3 |
Solubility In Water | Partially soluble |
Appearance | White to pale yellow crystalline solid |
Vapor Pressure | 0.013 mmHg at 25°C |
Flash Point | 86°C |
Logp | 1.72 |
Pka | 2.74 |
What is the chemical structure of b-Dichloroacrylic acid?
b - Dichloroacrylic acid is an organic compound with the following chemical structure features.b - Dichloroacrylic Acid is an organic compound that has the following chemical features.
The parent structure of b - dichloroacrylic acid is acrylic acid.The parent structure of b-dichloroacrylic is acrylic acid. Acrylic acid has the formula CH2=CH - COOH, which consists of a vinyl group (CH2=CH - ) attached to a carboxyl group (-COOH).Acrylic acid is a compound with the formula CH2=CH-COOH. It consists of two vinyl groups (CH2=CH- ) joined to a carboxyl (-COOH). In b - dichloroacrylic acid, two chlorine atoms are substituted at the b - position of the acrylic acid structure.In b- dichloroacrylic acids, two chlorine atoms at the b- position are substituted.
The b - position refers to the second carbon atom in the carbon - carbon double - bond - containing chain relative to the carboxyl - carbon.The b-position refers to the second atom of the double-bond - containing carbon -carbon chain in relation to the carboxyl-carbon. So, the chemical formula of b - dichloroacrylic acid is C3H2Cl2O2.The chemical formula for b-dichloroacrylic is C3H2Cl2O2. Its structural formula can be written as Cl2C=CH - COOH.The structural formula of the acid is Cl2C=CH-COOH.
The molecule has a planar structure around the carbon - carbon double bond due to the sp2 hybridization of the two carbon atoms involved in the double bond.The molecule is planar around the double carbon bond. This is due to the sp2 hybridization of the two carbons involved. The carboxyl group has a polar - covalent nature.The carboxyl group is polar-covalent. The oxygen atoms in the carboxyl group are electronegative, resulting in a partial negative charge on them, and the hydrogen atom in the - OH part of the carboxyl group has a partial positive charge, which allows the molecule to participate in hydrogen - bonding interactions.The oxygen atoms of the carboxyl groups are electronegative and have a partial charge. The hydrogen atoms of the -OH part of the group also have a partial charge. This allows the molecule participate in hydrogen-bonding interactions.
The two chlorine atoms are electron - withdrawing groups.The two chlorine atoms act as electron-withdrawing groups. Their presence affects the electron density distribution in the molecule.Their presence alters the electron distribution in the molecule. They pull electron density away from the adjacent carbon atoms and the carbon - carbon double bond through the inductive effect.Through the inductive effect, they pull electron density away the adjacent carbon atoms as well as the carbon-carbon double bond. This can influence the reactivity of the molecule.This can affect the reactivity. For example, it can make the double bond more electrophilic, as the electron - withdrawing chlorine atoms reduce the electron - richness of the double - bond region.It can, for example, make the double bond electrophilic as the electron-withdrawing chlorine atoms decrease the electron-richness of the double-bond region. This in turn can make the molecule more reactive towards nucleophilic addition reactions.This can then make the molecule more receptive to nucleophilic reactions.
The carboxyl group also contributes to the molecule's reactivity.The carboxyl group is also responsible for the reactivity of the molecule. It can undergo typical carboxylic - acid reactions such as esterification, where the - OH group in the carboxyl is replaced by an alkoxy group (-OR) in the presence of an alcohol and an acid catalyst.It can undergo typical carboxylic-acid reactions, such as esterification. In this reaction, the -OH group of the carboxyl group is replaced by an -OR group in the presence an alcohol and acid catalyst. The overall structure of b - dichloroacrylic acid, with its combination of the double bond, carboxyl group, and chlorine substituents, gives it unique chemical and physical properties that are exploited in various chemical processes and applications.The overall structure of b-dichloroacrylic acids, with its combination carboxyl group and double bond, gives it unique physical and chemical properties that can be exploited for various chemical processes.
What are the applications of b-Dichloroacrylic acid?
b - Dichloroacrylic acid has several important applications in various fields.b - Dichloroacrylic Acid has many important applications in different fields.
In the pharmaceutical industry, it serves as a key intermediate.It is a vital intermediate in the pharmaceutical industry. It can be used in the synthesis of certain drugs.It can be used to synthesize certain drugs. Its unique chemical structure allows for the construction of more complex molecular frameworks required for drug development.Its unique chemistry allows it to be used in the synthesis of more complex molecular structures required for drug development. For example, it can participate in reactions that form the core structures of drugs targeting specific diseases.It can, for example, participate in reactions to form the core structure of drugs that target specific diseases. By reacting with other chemical compounds, it can introduce functional groups necessary for the drug's activity, such as binding to specific receptors in the human body.It can introduce functional groups that are necessary for the drug to work, such as binding specific receptors within the body, by reacting with other chemicals. This is crucial for the development of new medications to treat conditions like infections, inflammation, or even some chronic diseases.This is important for the development and testing of new medications that treat conditions such as infections, inflammation or chronic diseases.
In the agrochemical sector, b - dichloroacrylic acid is used in the production of pesticides.Pesticides are produced using b-dichloroacrylic acids in the agrochemical industry. Pesticides are essential for protecting crops from pests, diseases, and weeds.Pesticides protect crops from pests, disease, and weeds. The acid can be incorporated into the synthesis of pesticide molecules.The acid can be used to synthesize pesticide molecules. It helps in creating pesticides with enhanced efficacy and specificity.It can be used to create pesticides that are more specific and effective. For instance, it can contribute to the design of pesticides that target particular types of insects or plant pathogens.It can, for example, contribute to the development of pesticides which target specific types of insects or pathogens on plants. This ensures that the pesticides are more effective in safeguarding agricultural yields while minimizing harm to non - target organisms and the environment.This will ensure that pesticides are more efficient in protecting agricultural yields, while minimizing harm caused to non-target organisms and the environmental.
The material science field also benefits from b - dichloroacrylic acid.B - Dichloroacrylic Acid is also beneficial to the material science field. It can be used in the synthesis of specialty polymers.It can be used to synthesize specialty polymers. These polymers have unique properties such as high chemical resistance, thermal stability, and mechanical strength.These polymers are characterized by unique properties, such as high chemical resistance and thermal stability. For example, in the production of coatings, the polymers synthesized using b - dichloroacrylic acid can provide better protection to surfaces.In the production of coatings for example, polymers synthesized with b-dichloroacrylic acids can provide better surface protection. They can be used on metal surfaces to prevent corrosion, or on building materials to resist weathering and chemical attacks.They can be applied to metal surfaces to prevent rust, or to building materials to resist weathering. Additionally, in the manufacturing of high - performance plastics, the acid - derived polymers can enhance the durability and performance of the final products, making them suitable for applications in the automotive, aerospace, and electronics industries.Acid-derived polymers are also used to improve the durability and performance in the production of high-performance plastics. This makes them suitable for use in the automotive, electronics, and aerospace industries.
In the research laboratory, b - dichloroacrylic acid is a valuable reagent.In the laboratory, b-dichloroacrylic is a valuable reagent. It is used in various chemical reactions to study reaction mechanisms and develop new synthetic methodologies.It is used to study reaction mechanisms and create new synthetic methods. Chemists can use it to explore different reaction pathways and understand how different functional groups interact.It can be used by chemists to explore different reactions pathways and understand the interaction between different functional groups. This fundamental research can lead to the discovery of more efficient and environmentally friendly chemical synthesis techniques, which in turn can have a positive impact on all the industries that rely on chemical manufacturing.This fundamental research could lead to the development of more efficient and environmentally-friendly chemical synthesis techniques.
What are the safety precautions when handling b-Dichloroacrylic acid?
b - Dichloroacrylic acid is a chemical with certain hazards, and the following safety precautions should be taken when handling it.When handling dichloroacrylic acids, you should take the following safety precautions.
First, personal protective equipment is essential.Personal protective equipment is a must. Wear appropriate chemical - resistant clothing, such as long - sleeved laboratory coats made of suitable materials.Wear chemical-resistant clothing such as long-sleeved lab coats made from suitable materials. This can prevent the chemical from coming into contact with the skin, as skin contact with b - dichloroacrylic acid may cause irritation, burns, and potential absorption into the body.This will prevent the chemical from contacting the skin. B - Dichloroacrylic Acid can cause irritation, burns and possible absorption into the human body. For hand protection, use thick, chemical - resistant gloves.Use thick, chemical-resistant gloves to protect your hands. Nitrile or neoprene gloves are often good choices as they can resist the corrosive effects of the acid.Gloves made of neoprene or nitrile are good options as they can resist acid's corrosive effect. Eye protection is crucial too.Eye protection is also important. Safety goggles that provide full - face coverage should be worn at all times when handling the substance.Wear safety goggles with full-face coverage at all times while handling the substance. This can prevent any splashes from getting into the eyes, which could lead to severe eye damage.This will prevent splashes from entering the eyes and causing severe eye damage.
Second, work in a well - ventilated area.Second, make sure you are working in an area that is well-ventilated. b - dichloroacrylic acid may give off vapors that can be harmful if inhaled.Inhaling vapors from b-dichloroacrylic acids can be dangerous. A fume hood is the ideal place to conduct operations involving this chemical.The fume hood should be used to perform operations with this chemical. The fume hood can effectively exhaust the vapors, reducing the risk of inhalation.The fume hood will effectively exhaust the vapors and reduce the risk of inhalation. If a fume hood is not available, ensure that the general laboratory or work area has good air circulation to dilute the vapors.If a fume-hood is not available, make sure that the laboratory or work area has a good air circulation system to dilute vapors. When inhaling the vapors of b - dichloroacrylic acid, it can cause respiratory tract irritation, coughing, shortness of breath, and in severe cases, more serious respiratory problems.Inhaling vapors from b-dichloroacrylic can cause respiratory tract irritation. It can also cause coughing, shortness or breath, and, in severe cases, serious respiratory problems.
Third, proper handling and storage are necessary.Third, it is important to handle and store the acid properly. When transferring b - dichloroacrylic acid, use appropriate pouring or pipetting techniques to avoid spills.Pour or pipette the b-dichloroacrylic to avoid spills. If a spill occurs, immediately take appropriate cleanup measures.Take immediate action to clean up any spills. Small spills can be absorbed with an inert absorbent material, like vermiculite or sand, and then disposed of properly.Small spills can easily be absorbed by an inert absorbent substance, such as vermiculite, sand or sand, before being disposed of. Large spills may require more elaborate procedures, including evacuation of the area if necessary and notifying relevant safety personnel.Large spills can require more complex procedures, such as evacuation of the affected area and notification of safety personnel. Store b - dichloroacrylic acid in a cool, dry place, away from heat sources, ignition sources, and incompatible substances.Store b- dichloroacrylic in a cool and dry place away from heat sources, ignitions sources, and other incompatible substances. It should be stored in a tightly - sealed container to prevent leakage and evaporation.It should be kept in a tightly-sealed container to prevent leaking and evaporation.
Finally, in case of contact, immediate first - aid measures should be taken.In the event of contact, you should take immediate first-aid measures. If it gets on the skin, immediately flush the affected area with plenty of water for at least 15 minutes.If it gets onto the skin, flush the affected area immediately with plenty of water. Remove any contaminated clothing during this process.During this process, remove any contaminated clothing. If it gets into the eyes, irrigate the eyes with copious amounts of clean water for at least 15 minutes while holding the eyelids open, and then seek immediate medical attention.If it gets in the eyes, rinse the eyes with plenty of clean water while keeping the eyelids wide open for at least 15 minute. Seek immediate medical attention if necessary. In case of inhalation, move the affected person to fresh air immediately.In the event of inhalation, immediately move the person to fresh air. If the person is not breathing, perform CPR if trained to do so and call for emergency medical help.If the person does not breathe, perform CPR on them if you are trained to do so. Call for emergency medical assistance.
What are the properties of b-Dichloroacrylic acid?
b - Dichloroacrylic acid has several notable properties.Dichloroacrylic Acid has several notable properties.
Physical properties:
b - Dichloroacrylic acid is a solid at room temperature.At room temperature, b- Dichloroacrylic Acid is a solid. It typically has a white to off - white appearance.It usually has a white or off-white appearance. It has a relatively high melting point, which is characteristic of many carboxylic acids with additional substituents.It has a high melting point which is typical of carboxylic acid with additional substituents. The presence of two chlorine atoms and the carboxylic acid group contributes to its molecular interactions that result in this relatively high melting behavior.The presence of the two chlorine atoms in addition to the carboxylic group is responsible for its relatively high melting behavior. The melting point can be an important parameter for purification processes such as recrystallization.The melting point is an important parameter in purification processes, such as recrystallization.
In terms of solubility, it shows some solubility in polar solvents.It shows some solubility with polar solvents. The carboxylic acid group can form hydrogen bonds with polar solvents like water, alcohols, and ethers.The carboxylic group can form hydrogen bonds with polar solvents such as water, alcohols, or ethers. However, the two chlorine atoms, which are electron - withdrawing groups, also affect the solubility.The two chlorine atoms that are electron-withdrawing groups also affect solubility. While it has some solubility in water due to the carboxylic acid functionality, the overall solubility in water is limited compared to simpler carboxylic acids like acetic acid.It is soluble in water because of the carboxylic functionality. However, its solubility is low compared to other carboxylic acids such as acetic acid. In organic solvents such as dichloromethane, chloroform, and ethyl acetate, it is more soluble, which is useful for extraction and solution - based chemical reactions.It is more soluble in organic solvents like dichloromethane and chloroform.
Chemical properties:
The carboxylic acid group in b - dichloroacrylic acid is highly reactive.The carboxylic group in b-dichloroacrylic is highly reactive. It can undergo typical carboxylic acid reactions.It can undergo typical carboxylic acids reactions. For example, it can be esterified in the presence of an alcohol and an acid catalyst.It can be esterified, for example, in the presence an alcohol and an acid catalyser. When reacted with an alcohol like methanol in the presence of sulfuric acid, it forms the corresponding methyl b - dichloroacrylate ester.When it reacts with an alcohol such as methanol, in the presence sulfuric acid, the corresponding methyl-b-dichloroacrylate ester is formed. This reaction is an important way to modify the compound's structure and is used in the synthesis of various organic compounds, including those with potential applications in the fragrance and flavor industry.This reaction is a good way to modify a compound's structure. It is used in the synthesis and synthesis of many organic compounds.
The two chlorine atoms are also reactive sites.Both chlorine atoms are reactive sites. They can be substituted in nucleophilic substitution reactions.They can be substituted by nucleophilic replacement reactions. For instance, reacting b - dichloroacrylic acid with a strong nucleophile like an alkoxide ion can lead to the replacement of one or both chlorine atoms.Reacting b-dichloroacrylic with a nucleophile such as an alkoxide can result in the replacement of both or one chlorine atom. The electron - withdrawing nature of the chlorine atoms makes the adjacent carbon atoms more electrophilic, facilitating these substitution reactions.The electron-withdrawing nature of chlorine atoms causes the carbon atoms to be more electrophilic. This facilitates these substitution reactions. This reactivity can be exploited to introduce different functional groups into the molecule, which can be valuable in medicinal chemistry for the synthesis of potential drug candidates.This reactivity is useful in medicinal chemistry to introduce functional groups into a molecule.
b - dichloroacrylic acid can also participate in addition reactions across the double bond.B - dichloroacrylic acids can also participate in additions across the double bond. For example, it can react with bromine in an addition reaction to form a dibromo - derivative, where the bromine atoms add across the carbon - carbon double bond.It can, for example, react with bromine to form a dibromo-derivative, where the bromine adds across the double bond carbon -carbon. This double - bond reactivity is important in the synthesis of more complex organic molecules and can be used to build larger carbon - based frameworks.This double-bond reactivity is crucial in the synthesis and construction of larger carbon-based frameworks.
In summary, b - dichloroacrylic acid's physical and chemical properties make it a valuable compound in organic synthesis, with potential applications in various industries from pharmaceuticals to flavors and fragrances.The physical and chemical properties of b-dichloroacrylic acids make it an important compound in organic synthesis. It has potential applications in many industries, from pharmaceuticals to flavors, fragrances and flavors.
How is b-Dichloroacrylic acid synthesized?
b - Dichloroacrylic acid can be synthesized through several methods.b - Dichloroacrylic Acid can be synthesized by several methods. One common approach involves starting from appropriate precursors and using chemical reactions to introduce the two chlorine atoms and form the acrylic acid structure.One common method involves starting with appropriate precursors, and then using chemical reactions to introduce two chlorine atoms into the acrylic acid structure.
One possible synthesis route begins with an alkene derivative.One possible route to synthesis begins with an alkene. For example, starting from a suitable unsaturated carboxylic acid.Starting from an unsaturated carboxylic acids is one example. Chlorination reactions can be used to introduce the chlorine atoms.To introduce chlorine atoms, chlorination reactions are used. Chlorine gas (Cl2) can be reacted with the unsaturated acid in the presence of a catalyst.In the presence of a catalyser, chlorine gas (Cl2) may be reacted to the acid. The reaction typically occurs via an electrophilic addition mechanism.The reaction is usually carried out by an electrophilic mechanism. The double bond in the unsaturated acid acts as a nucleophile, attacking the electrophilic chlorine molecule.The double bond of the unsaturated acids acts as a nucleophile and attacks the electrophilic chloride molecule. One chlorine atom adds to one carbon of the double bond, and the other forms a chloride ion in the solution.One chlorine atom is added to one carbon in the double bond and the other forms the chloride ion. The reaction conditions need to be carefully controlled, such as temperature and reaction time, to ensure the desired dichlorination at the b - position.To achieve the desired dichlorination, the reaction conditions, such as temperature, must be carefully controlled.
Another method might involve starting from a halogen - containing precursor that can be further modified.Another method would be to start with a halogen-containing precursor which can then be further modified. For instance, if there is a compound with a single halogen atom at a position that can be further halogenated and then converted to an acrylic acid derivative.If there is a compound that has a single halogen at a certain position, it can be further halogenated to produce an acrylic acid derivative. First, the initial halogen - containing compound can undergo a substitution reaction to introduce a second halogen atom.The first halogen-containing compound can be subjected to a substitution reaction in order to introduce a new halogen. This might involve using a halogenating agent like phosphorus pentachloride (PCl5) or thionyl chloride (SOCl2) under appropriate reaction conditions.This could involve the use of a halogenating compound such as phosphorus pentachloride PCl5 or thionyl chloride SOCl2 under appropriate reaction conditions. After the introduction of the second halogen, subsequent reactions can be carried out to form the acrylic acid moiety.After the second halogen is introduced, further reactions can be performed to form the acrylic moiety. This could involve elimination reactions to form the double bond characteristic of acrylic acid, along with any necessary hydrolysis or other functional group - transforming reactions to obtain the final b - dichloroacrylic acid product.This could include elimination reactions to produce the double bond characteristic for acrylic acid, as well as any necessary hydrolysis and other functional group-transforming reactions.
In some cases, a multi - step synthesis might be required, where intermediate compounds are formed and then further reacted to build up the desired structure.In some cases a multi-step synthesis may be required. This involves the formation of intermediate compounds and their further reaction to form the desired structure. Each step in the synthesis needs to be optimized to achieve high yields and purity of the b - dichloroacrylic acid.Each step of the synthesis must be optimized to obtain high yields and purity for the b- dichloroacrylic acids. The reaction products may need to be isolated and purified using techniques such as distillation, recrystallization, or chromatography to obtain the final pure b - dichloroacrylic acid.To obtain pure b- dichloroacrylic, the reaction products will need to be purified by techniques such as recrystallization, chromatography, or distillation.