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Product Name | 3-(4-Chloro-3-nitrophenyl)acrylic acid |
Cas Number | 17813-64-4 |
Formula | C9H6ClNO4 |
Molar Mass | 227.6 |
Property 1 | Yellow crystalline powder |
Property 2 | Melting point is around 195-197°C |
Property 3 | Slightly soluble in water |
Property 4 | Soluble in organic solvents |
Property 5 | It is light-sensitive |
Property 6 | Stable under normal temperatures and pressures |
Property 7 | Can decompose on exposure to light |
Property 8 | Store at 2-8°C |
Property 9 | Used in chemical research |
Property 10 | Reactivity Profile: Non-flammable, but combustible |
What are the main applications of 3-(4-chloro-3-nitrophenyl)acrylic acid?
3-(4-chloro-3-nitrophenyl)acrylic acid has several main applications.
In the field of organic synthesis, it serves as a crucial intermediate.It is a key intermediate in organic synthesis. Its unique chemical structure, with the chloro and nitro groups on the phenyl ring along with the acrylic acid moiety, allows for various chemical reactions.Its unique chemistry, which includes the chloro and the nitro groups on phenyl rings, along with the acrylic acids moiety, allows it to undergo a variety of chemical reactions. For instance, the carboxylic acid group can be esterified, which is useful in the creation of esters.The carboxylic acid can be esterified to create esters. These esters might have applications in the production of fragrances or as plasticizers.These esters could be used in the production or plasticizers. The double bond in the acrylic acid part is highly reactive.The double bond of the acrylic acid is highly reactive. It can participate in addition reactions, enabling the formation of more complex organic compounds.It can be used in additional reactions to form more complex organic compounds. Chemists can use it to build larger molecules with specific functional properties, like in the synthesis of novel pharmaceuticals or agrochemicals.It can be used by chemists to create larger molecules with specific properties, such as in the synthesis or novel pharmaceuticals and agrochemicals.
In the development of dyes, 3-(4-chloro-3-nitrophenyl)acrylic acid can play a significant role. The nitro and chloro substituents on the phenyl ring can influence the electronic properties of the molecule.The nitro and chlorine substituents can affect the electronic properties of a molecule. This can affect its light - absorbing and - emitting characteristics.This can influence its light-absorbing and emitted characteristics. Dyes often rely on conjugated systems to absorb visible light.Dyes often use conjugated systems to absorb light. The structure of this compound can be modified and incorporated into a dye molecule's backbone.This compound's structure can be modified to incorporate into the dye molecule. By changing the substituents and the overall structure around the 3-(4-chloro-3-nitrophenyl)acrylic acid core, dyes with different colors and stabilities can be designed. For example, it can be used in the production of textile dyes, where the stability and color - fastness are important properties.It can be used to produce textile dyes where color-fastness and stability are important properties.
It also has potential applications in the pharmaceutical industry.It has potential applications also in the pharmaceutical industry. The presence of the nitro group can be reduced to an amino group under appropriate conditions.Under the right conditions, the nitro group is reduced to an ammonium group. This amino - containing derivative might have biological activity.This amino-containing derivative may have biological activity. Compounds with a similar structure have been investigated for their antibacterial, antifungal, or anti - inflammatory properties.Compounds of similar structure were investigated for their antibacterial or antifungal properties. The acrylic acid part can also be used to form amide linkages with amino - containing compounds, which is a common strategy in drug design to modify the pharmacokinetic properties of a molecule.The acrylic acid can also be used as a linkage to amino-containing compounds to modify a molecule's pharmacokinetics. By attaching different side chains to the 3-(4-chloro-3-nitrophenyl)acrylic acid framework, new drug candidates can be developed to target specific biological pathways or receptors. Overall, 3-(4-chloro-3-nitrophenyl)acrylic acid is a versatile compound with wide - ranging applications in different chemical and industrial sectors.
What are the safety precautions when handling 3-(4-chloro-3-nitrophenyl)acrylic acid?
When handling 3-(4-chloro-3-nitrophenyl)acrylic acid, several safety precautions are essential.
First, personal protective equipment should be worn.Wearing personal protective equipment is the first step. This includes appropriate gloves.Gloves are a good example. Nitrile or neoprene gloves are good choices as they can resist chemical penetration from this compound.These gloves can resist chemical penetration. Wearing gloves protects the skin from direct contact, which could potentially lead to skin irritation, allergic reactions, or absorption of the chemical into the body.Gloves protect the skin from direct chemical contact that could cause skin irritation, allergy reactions, or absorption into the body. Additionally, safety goggles or a face shield should be used.Safety goggles or face shields should also be worn. This safeguards the eyes from any splashes that might occur during handling.This protects the eyes from any splashes which may occur during handling. If the chemical gets into the eyes, it can cause severe irritation, damage to the cornea, and potentially permanent vision problems.If the chemical gets in the eyes, it could cause severe irritation, corneal damage, and possibly permanent vision problems.
Second, work in a well - ventilated area.Second, make sure you are working in an area that is well-ventilated. 3-(4-chloro-3-nitrophenyl)acrylic acid may release fumes or vapors that could be harmful if inhaled. A fume hood is an ideal workspace as it can effectively remove these potentially hazardous airborne particles.A fume hood can be a great workspace because it can remove these potentially dangerous airborne particles. Inhalation of the chemical vapors can irritate the respiratory tract, causing coughing, shortness of breath, and in more severe cases, damage to the lungs.Inhaling the chemical vapors may cause irritation of the respiratory tract. This can lead to coughing, shortness in breath, or even damage to the lungs.
Third, proper storage is crucial.Third, the right storage is essential. Store the compound in a cool, dry place away from heat sources and ignition sources.Store the compound in an area that is cool and dry, away from heat sources or ignition sources. This is because 3-(4-chloro-3-nitrophenyl)acrylic acid may be flammable under certain conditions, and heat or an ignition source could lead to a fire. Also, keep it away from incompatible substances such as strong oxidizers, bases, and acids.Keep it away from other incompatible substances, such as acids, bases and strong oxidizers. Chemical reactions with these substances could be violent, resulting in the release of harmful gases or even an explosion.Chemical reactions between these substances can be violent and result in harmful gases or an explosion.
Fourth, in case of accidental spillage, immediate action is required.In the event of an accidental spillage, you must act immediately. First, evacuate the area to prevent others from being exposed.First, evacuate the affected area to protect others. Then, use appropriate absorbent materials like vermiculite, sand, or a spill kit designed for organic chemicals to clean up the spill.To clean up the spill, use absorbent materials such as vermiculite or sand. Dispose of the contaminated absorbent in accordance with local regulations.Dispose of contaminated absorbent according to local regulations. Do not wash the spill into the drains as it can contaminate water sources.Do not flush the spill down the drains, as it could contaminate the water source.
Finally, in the event of contact with the skin or eyes, or ingestion or inhalation, seek immediate medical attention.In the event of skin or eye contact, ingestion or inhalation or ingestion, seek immediate medical care. Provide the medical staff with as much information as possible about the compound, including its name and the circumstances of the exposure.Give the medical staff as much information about the compound as possible, including its name and circumstances of exposure.
What is the solubility of 3-(4-chloro-3-nitrophenyl)acrylic acid in different solvents?
The solubility of 3-(4-chloro-3-nitrophenyl)acrylic acid in different solvents can vary significantly based on the nature of the solvent and the acid's chemical structure.
In polar protic solvents like water, the solubility is likely to be relatively low.In polar protic solutions like water, solubility will be low. 3-(4-chloro-3-nitrophenyl)acrylic acid has a large aromatic ring with electron - withdrawing groups (chloro and nitro), along with a carboxylic acid group. The hydrophobic nature of the aromatic part dominates, and water molecules have difficulty solvating the overall molecule.The hydrophobic character of the aromatic part is dominant, and water molecules find it difficult to dissolve the entire molecule. Hydrogen bonding from the carboxylic acid group to water is not sufficient to overcome the hydrophobic effect of the large non - polar part, resulting in poor solubility.The hydrogen bonding between the carboxylic group and water is not enough to overcome the hydrophobic effects of the large non-polar part.
In polar aprotic solvents such as dimethyl sulfoxide (DMSO) and N,N - dimethylformamide (DMF), the solubility is expected to be much higher.Solubility should be higher in polar aprotic solutions such as N,N-dimethylformamide (DMF) and dimethyl sulfoxide. These solvents can interact with the polar groups of the acid through dipole - dipole interactions.These solvents interact with the acid's polar groups through dipole-dipole interactions. The carboxylic acid group can form strong interactions with the polar aprotic solvents, and the solvents' ability to disrupt the intermolecular forces within the acid crystals helps in dissolving it.The carboxylic group can form strong interaction with the polar solvents. And the solvents' ability disrupt the intermolecular force within the acid crystals also helps to dissolve it. DMSO, for example, has a high dielectric constant, which allows it to effectively separate and solvate ions and polar molecules, making 3-(4-chloro-3-nitrophenyl)acrylic acid more soluble in it.
In non - polar solvents like hexane or toluene, the solubility is extremely low.In non-polar solvents such as hexane and toluene the solubility of the acid is very low. The acid has polar functional groups, and non - polar solvents lack the ability to interact favorably with these polar parts.Acid has polar functional group, and non-polar solvents are unable to interact with these polar parts. The non - polar solvents can only interact with the non - polar aromatic ring via weak van der Waals forces, but this is not enough to dissolve the acid, as the carboxylic acid group remains unaccommodated in the non - polar environment.The non-polar solvents interact with the non-polar aromatic ring through weak van der Waals interactions, but this does not dissolve the acid because the carboxylic group is unaccommodated by the non-polar environment.
Alcohols represent an intermediate case.Alcohols are intermediate cases. Lower - chain alcohols like methanol and ethanol have both polar and non - polar characteristics.Lower -chain alcohols such as methanol andethanol have both non -polar and polar properties. The polar hydroxyl group can interact with the carboxylic acid group of the acid through hydrogen bonding, while the non - polar alkyl part can interact with the aromatic ring.The polar hydroxyl can interact with carboxylic acid groups of the acid via hydrogen bonding while the non-polar alkyl can interact the aromatic ring. So, the solubility in alcohols is usually better than in water but may be lower than in polar aprotic solvents.Solubility is higher in alcohols than in water, but lower in polar aprotic solutions. Higher - chain alcohols with larger non - polar alkyl groups may have reduced solubility for the acid due to an increased dominance of the non - polar character of the alcohol.Alcohols with higher - chain lengths and larger non-polar alkyl groups can have a reduced solubility due to the alcohol's non-polar character. Overall, understanding the solubility in different solvents is crucial for processes such as purification, formulation, and reaction optimization involving 3-(4-chloro-3-nitrophenyl)acrylic acid.
What is the stability of 3-(4-chloro-3-nitrophenyl)acrylic acid under different conditions?
3-(4 - chloro - 3 - nitrophenyl)acrylic acid is an organic compound with certain chemical properties that influence its stability under different conditions.3-(4-chloro-3-nitrophenyl-acrylic acid) is an organic compound that has certain chemical properties which influence its stability in different conditions.
Thermal Stability
When exposed to heat, 3-(4 - chloro - 3 - nitrophenyl)acrylic acid may undergo decomposition reactions.Heat can cause 3-(4-chloro-3-nitrophenyl-acrylic acid) to undergo decomposition. The nitro group (-NO2) in the molecule is relatively thermally labile.The nitro group in the molecule (-NO2) is relatively thermally unstable. As the temperature rises, the nitro group can start to break down, potentially leading to the release of nitrogen oxides.As the temperature increases, the nitro group may begin to break down. This could lead to the release nitrogen oxides. The double bond in the acrylic acid part of the molecule can also be affected by heat.Heat can also affect the double bond in acrylic acid. It might participate in polymerization reactions or isomerization processes at elevated temperatures.At elevated temperatures, it could participate in polymerization or isomerization reactions. For example, at high temperatures, the cis - trans isomerization of the double bond in the acrylic acid moiety could occur, changing the physical and chemical properties of the compound.At high temperatures, for example, the cis-trans isomerization could occur of the double bond of the acrylic acid moiety, changing its physical and chemical properties.
Stability in Different SolventsStability of Different Solvents
The stability of 3-(4 - chloro - 3 - nitrophenyl)acrylic acid can vary greatly depending on the solvent.The stability of 3-(4-chloro-3-nitrophenyl-acrylic acid) can vary greatly depending upon the solvent. In polar solvents such as water or alcohols, the compound may be more prone to hydrolysis reactions.In polar solvents like alcohols or water, the compound is more susceptible to hydrolysis reactions. The nitro group can be hydrolyzed under acidic or basic conditions in polar solvents.In polar solvents, the nitro group may hydrolyze under acidic or base conditions. In basic solutions, the carboxylic acid group (-COOH) of the acrylic acid part can deprotonate, which may further affect the overall reactivity and stability of the molecule.In basic solutions, carboxylic acids (-COOH), which are part of the acrylic acid, can deprotonate. This may affect the reactivity and stability. Non - polar solvents like hexane or toluene, on the other hand, are less likely to cause hydrolysis.Hydrolysis is less likely to occur in non-polar solvents such as hexane and toluene. However, the solubility of the compound in non - polar solvents may be limited, and in some cases, aggregation or precipitation of the compound could occur, which can also impact its stability.The solubility of a compound in non-polar solvents can be limited. In some cases, precipitation or aggregation of the compound may also occur.
Photostability
In the presence of light, especially ultraviolet light, 3-(4 - chloro - 3 - nitrophenyl)acrylic acid may experience photochemical reactions.In the presence or ultraviolet light, 3-(4-chloro- 3-nitrophenyl-acrylic acid) may undergo photochemical reactions. The nitro group can absorb light energy and initiate a series of photodegradation processes.The nitro group is able to absorb light energy, which can initiate a series photodegradation reactions. Photolysis of the nitro group can lead to the formation of reactive intermediates, which can further react with other parts of the molecule or with components in the surrounding environment.Photolysis of nitro groups can lead to reactive intermediates that can react with other components of the molecule, or the environment. These photochemical reactions can result in the breakdown of the molecule into smaller fragments, reducing its stability over time when exposed to light sources.These photochemical reactions may result in the fragmentation of the molecule, reducing the stability over time.
Stability in the Presence of Chemical ReagentsStability of Chemical Reagents
If 3-(4 - chloro - 3 - nitrophenyl)acrylic acid comes into contact with strong oxidizing agents, the nitro group and the double bond can be oxidized.The double bond and the nitro group can be oxidized if 3-(4-chloro-3-nitrophenyl-acrylic acid) comes into contact with strong oxygenating agents. Oxidation of the double bond can lead to the formation of epoxides or cleavage products.The double bond can be oxidized to form epoxides and cleavage products. Reducing agents, on the other hand, can reduce the nitro group to an amino group (-NH2), completely changing the structure and properties of the compound.Reducing agents can, on the contrary, reduce the nitro group into an amino group (-NH2) and completely change the structure and properties. Additionally, in the presence of catalysts such as acids or bases, certain reactions like esterification (if there are appropriate alcohol reactants) or decarboxylation (under specific conditions) can occur, affecting the stability of 3-(4 - chloro - 3 - nitrophenyl)acrylic acid.In addition, in the presence catalysts like acids or bases, certain reaction such as esterification can occur (if there is an appropriate alcohol reactant) or decarboxylation under specific conditions, affecting stability of 3-(4-chloro-3-nitrophenyl-acrylic acid).
What is the purity of 3-(4-chloro-3-nitrophenyl)acrylic acid typically available?
The purity of 3-(4 - chloro - 3 - nitrophenyl)acrylic acid that is typically available can vary depending on several factors.The purity of 3-(4-chloro - 3-nitrophenyl-acrylic acid) that is usually available can vary depending upon several factors.
In laboratory - scale synthesis, if the compound is freshly prepared by a skilled chemist following a well - optimized synthetic procedure, the purity can be relatively high.Purity can be high in laboratory-scale synthesis if the compound has been freshly prepared by a chemist using a well-optimized synthetic procedure. For example, with careful purification steps such as recrystallization, column chromatography, or a combination of both, purities in the range of 90% - 98% can often be achieved.Purities of 90-98% can be achieved by using purification methods such as column chromatography or recrystallization. Recrystallization is a common method where the compound is dissolved in a suitable solvent at a high temperature and then slowly cooled to allow the pure compound to crystallize out, leaving impurities in the solution.Recrystallization involves dissolving the compound in a solvent at high temperatures and cooling it slowly to allow the pure compound crystallize, leaving the impurities behind. Column chromatography separates the compound from impurities based on differences in their affinities for a stationary phase and a mobile phase.Column chromatography is a method that separates impurities from the compound based on their affinity for a stationary and mobile phase.
On the other hand, commercially available 3-(4 - chloro - 3 - nitrophenyl)acrylic acid may have different purity levels.Purity levels of 3-(4-chloro-3-nitrophenyl-acrylic acid) that is commercially available may vary. Some lower - cost, bulk - produced versions might have purities around 80% - 90%.Some bulk-produced versions, which are cheaper, may have purities of 80% to 90%. These products are often intended for applications where extremely high purity is not strictly necessary, such as in certain research projects where the compound is used as a starting material in a multi - step synthesis and the impurities can be removed in subsequent steps.These products are intended for applications in which high purity isn't strictly necessary. For example, in certain research projects in which the compound is used to start a multi-step synthesis where impurities can then be removed.
For applications where high purity is crucial, such as in pharmaceutical research for drug development or in some analytical chemistry studies, suppliers may offer higher - purity grades.Suppliers may offer higher purity grades for applications where high purity is critical, such as pharmaceutical research or some analytical chemistry experiments. In these cases, the purity can be upwards of 98% or even approaching 99.5% in some premium - quality products.In some cases, the purity of these products can reach up to 98% and even approach 99.5%. However, these highly pure forms usually come at a significantly higher cost due to the more extensive purification processes required.These highly pure forms are usually more expensive due to the extensive purification process required.
If the compound is sourced from a less - reliable or unregulated source, the purity could be much lower, potentially even in the 50% - 70% range.If the compound comes from a source that is less-reliable or unregulated, the purity may be lower, possibly even in the range of 50%-70 %. This could be due to insufficient purification during production, contamination during storage or handling, or a lack of proper quality control measures.This could be a result of insufficient purification, contamination during storage and handling, or a failure to implement proper quality control measures.
In summary, the typical purity of 3-(4 - chloro - 3 - nitrophenyl)acrylic acid available can range from as low as 50% in poor - quality or unregulated sources to over 98% in high - end, carefully - produced and purified products.Summary: The typical purity of 3-(4-chloro- 3-nitrophenyl-acrylic acid) can range anywhere from 50% for low-quality or unregulated products to over 98% for high-end, carefully-produced and purified products. The choice of purity depends on the specific application requirements and the associated budget constraints of the user.The choice of purity is determined by the application requirements as well as the budget constraints of the end user.