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3-(3-bromo-4-fluoro-phenyl)-acrylic Acid


Properties
Product Name 3-(3-Bromo-4-Fluoro-Phenyl)-Acrylic Acid
Cas Number 352010-68-5
Formula C9H6BrFO2
Molar Mass 245.04
Property 1 Melting Point: 160-162°C
Property 2 Boiling Point: Not Available
Property 3 Density: Not Available
Property 4 Solubility: Soluble in DMSO
Property 5 Appearance: White to Off-White Powder
Property 6 Purity: ≥ 98%
Property 7 Stability: Stable under recommended storage conditions
Property 8 Storage Temperature: Store at 2-8°C
Property 9 Flash Point: Not Available
Property 10 Refractive Index: Not Available
FAQ

What are the applications of 3-(3-Bromo-4-Fluoro-Phenyl)Acrylic Acid?

3-(3-Bromo-4-Fluoro-Phenyl)Acrylic Acid has several important applications.
In the field of medicinal chemistry, it serves as a valuable building block.It is a valuable building-block in the field of medicinal chemical. Its unique structure, with the bromine and fluorine substituents on the phenyl ring along with the acrylic acid moiety, can be tailored to interact with specific biological targets.Its unique structure with the fluorine and bromine substituents on phenyl rings along with the acrylic acids moiety can be tailored to interact specifically with biological targets. For instance, the bromine atom can participate in halogen - bonding interactions, which are increasingly recognized as important in drug - receptor binding.The bromine atom, for example, can participate in halogen-bonding interactions that are increasingly recognized as being important in drug-receptor binding. These interactions can enhance the binding affinity of a molecule to its target protein.These interactions can increase the binding affinity of molecules to their target proteins. The fluorine atom, on the other hand, can influence the lipophilicity, metabolic stability, and bioavailability of a drug molecule.The fluorine atom can affect the bioavailability, metabolic stability and lipophilicity of a drug. Compounds derived from 3-(3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid can be designed to target enzymes involved in disease - related pathways.Compounds derived 3-(3-Bromo- 4-Fluoro- Phenyl-Acrylic acid can be designed to target specific enzymes in disease-related pathways. For example, some enzymes like kinases play a crucial role in cell signaling and are often dysregulated in cancer.Some enzymes, such as kinases, play a critical role in cell signaling. They are often dysregulated by cancer. By incorporating this acid into a molecule, researchers can potentially develop novel kinase inhibitors that could be used in cancer treatment.Researchers can develop new kinase-inhibitors by incorporating this acid in a molecule.

In the area of organic synthesis, 3-(3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid is a versatile intermediate.In the field of organic synthesis, 3-(3-Bromo- 4-Fluoro-Phenyl)Acrylic Acid can be used as a versatile intermediary. The double bond in the acrylic acid part can undergo various reactions such as Michael addition reactions.The double bond of the acrylic acid can undergo different reactions, such as Michael addition reactions. This allows for the formation of more complex molecules with a wide range of functional groups.This allows the formation of complex molecules with many functional groups. The bromine atom can be used in cross - coupling reactions, like Suzuki - Miyaura or Stille coupling.The bromine atom is used in cross-coupling reactions like Suzuki-Miyaura coupling or Stille coupling. These reactions enable the attachment of different aryl or alkyl groups to the phenyl ring, thereby expanding the structural diversity of the resulting compounds.These reactions allow the attachment of different alkyl or aryl groups to phenyl rings, thus increasing the structural diversity of the compounds. This is essential for the synthesis of natural products, agrochemicals, and advanced materials.This is crucial for the synthesis and agrochemicals of natural products.

In the development of agrochemicals, this compound can contribute to the creation of pesticides or herbicides.This compound can be used to create pesticides and herbicides. The bromine and fluorine atoms can enhance the compound's ability to interact with specific receptors in pests or weeds.The fluorine and bromine atoms in the compound can enhance its ability to interact with specific pest or weed receptors. This may lead to the development of more effective and selective agrochemicals.This could lead to the development more selective and effective agrochemicals. For example, by targeting unique biochemical pathways in pests, these compounds can control pest populations without harming non - target organisms to a large extent.These compounds, for example, can control pest populations by targeting unique biochemical pathway in pests without harming non-target organisms to an extent. This not only improves agricultural productivity but also helps in maintaining environmental balance.This not only increases agricultural productivity, but also helps maintain environmental balance. Overall, 3-(3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid plays a significant role in multiple scientific and industrial fields due to its reactive and functional - group - rich structure.The structure of 3-(3-Bromo-4-Fluoro-Phenyl)Acrylic Acid is reactive and functional group-rich, and plays a major role in many scientific and industrial fields.

What are the safety precautions when handling 3-(3-Bromo-4-Fluoro-Phenyl)Acrylic Acid?

3-(3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid is a chemical compound, and when handling it, several safety precautions should be taken.When handling 3-(3- Bromo- 4- Fluoro- Phenyl-)Acrylic Acid, it is important to take several safety precautions.
First, personal protective equipment is essential.Personal protective equipment is a must. Wear appropriate laboratory clothing, such as a lab coat, to prevent the chemical from coming into contact with regular clothes.Wear laboratory clothing such as a labcoat to prevent the chemical coming into contact with your regular clothes. Gloves made of a suitable material like nitrile should be worn.Gloves made from a suitable material such as nitrile are recommended. This helps protect the hands from potential skin contact, as skin exposure can lead to irritation, allergic reactions, or absorption of the chemical into the body.This protects the hands from possible skin contact. Skin exposure can cause irritation, allergic reactions or absorption of chemicals into the body. Safety goggles or a face shield should also be used.Use safety goggles or face shields. Chemical splashes to the eyes can cause serious and potentially irreversible damage, so protecting the eyes is crucial.Protecting the eyes from chemical splashes is essential.

Second, work in a well - ventilated area.Second, make sure you are working in an area that is well-ventilated. If possible, use a fume hood.Use a fume-hood if possible. 3-(3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid may release vapors that could be harmful if inhaled.Inhaling vapors from 3-(3-Bromo- 4-Fluoro- Phenyl-Acrylic Acid) could be harmful. A fume hood effectively removes these vapors, reducing the risk of respiratory problems.A fume hood can effectively remove these vapors and reduce the risk of respiratory issues. Inhalation of the chemical can cause irritation to the nose, throat, and lungs, and in severe cases, it may lead to more serious respiratory conditions.Inhaling the chemical can cause irritation of the nose, throat and lungs. In severe cases, this may lead to respiratory problems.

Third, be careful during handling procedures.Third, be cautious during handling procedures. When weighing or transferring the compound, use proper techniques to avoid spills.Use the correct techniques when weighing or moving the compound to avoid spills. In case of a spill, have a spill kit readily available.A spill kit should be readily available in case of a leak. Small spills can be contained and cleaned up according to the instructions in the spill kit.The instructions in the kit can be used to contain and clean up small spills. For larger spills, evacuate the area if necessary and follow the emergency response plan of the facility.If there are larger spills, you may need to evacuate the area and follow the emergency plan of the facility.

Fourth, storage is also important.Storage is also very important. Store 3-(3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid in a cool, dry place away from heat sources and incompatible substances.Store 3-(3-Bromo- 4-Fluoro-Phenyl)Acrylic Acid away from heat sources or incompatible substances in a dry, cool place. Keep it in a properly labeled container to prevent confusion and ensure that others are aware of the nature of the chemical.Keep it in an appropriately labeled container to avoid confusion and make sure others know the nature of the chemical.

Finally, in case of contact with the skin, immediately wash the affected area with plenty of water for at least 15 minutes.If the chemical gets into the eyes, flush the eyes with lots of water and seek immediate medical attention. If the chemical gets into the eyes, flush the eyes with copious amounts of water and seek immediate medical attention.If the chemical gets in the eyes, flush them with a lot of water and seek medical attention immediately. If inhaled, move to fresh air and get medical help if symptoms such as difficulty breathing occur.If you inhale the chemical, get medical attention if you experience symptoms like difficulty breathing. If ingested, do not induce vomiting unless specifically instructed by a medical professional, and seek emergency medical treatment right away.If you ingest the substance, do not induce vomiting without specific medical advice. Seek immediate medical attention. By following these safety precautions, the risks associated with handling 3-(3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid can be significantly reduced.These safety precautions can reduce the risks of handling 3-(3-Bromo- 4-Fluoro- Phenyl-Acrylic Acid).

What is the solubility of 3-(3-Bromo-4-Fluoro-Phenyl)Acrylic Acid in different solvents?

3 - (3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid is an organic compound.The organic compound 3 - (3- Bromo- 4- Fluoro- Phenyl-)Acrylic Acid can be divided into three parts. Its solubility in different solvents can vary significantly based on the nature of the solvent and the compound's chemical structure.Its solubility can vary greatly depending on the chemical structure of the compound and the solvent.
In polar solvents like water, the solubility of 3 - (3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid is likely to be relatively low.In polar solvents such as water, 3 - (3- Bromo- 4- Fluoro- Phenyl-Acrylic Acid) is likely to have a low solubility. This is because the compound contains a non - polar aromatic ring with bromine and fluorine substituents, along with a carboxylic acid group.This is due to the fact that the compound contains an aromatic non-polar ring with fluorine and bromine substituents along with a carboxylic group. While the carboxylic acid group can form hydrogen bonds with water, the large non - polar part of the molecule restricts its solubility.The carboxylic group can form hydrogen bond with water, but the large non-polar part of the compound limits its solubility. Water is a highly polar solvent, and the hydrophobic effect of the aromatic part reduces the overall interaction between the compound and water molecules.Water is a highly-polar solvent and the hydrophobic effects of the aromatic part reduce the overall interaction between water molecules and the compound.

Alcohols, such as methanol and ethanol, are also polar solvents but have a non - polar alkyl group.Alcohols such as methanol or ethanol are also polar solvants but have a non-polar alkyl group. The solubility of 3 - (3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid in alcohols is likely to be higher compared to water.Alcohols are likely to have a higher solubility for 3 - (3- Bromo- 4- Fluoro- Phenyl- Acrylic Acid) than water. The polar - OH group of the alcohol can interact with the carboxylic acid group of the compound through hydrogen bonding.The hydrogen bonding between the polar OH group in the alcohol and the carboxylic group of the compound can occur. Additionally, the non - polar part of the alcohol can interact with the non - polar aromatic ring of the compound through van der Waals forces.The non-polar part of alcohol can also interact with the non-polar aromatic ring through van der Waals force. Methanol, being a smaller alcohol, may provide better solubility than ethanol in some cases due to its higher polarity and smaller size, allowing for more efficient solvation of the compound.Methanol is a smaller alcohol and may be more soluble than ethanol due to its higher polarity.

In non - polar solvents like hexane or toluene, the solubility of 3 - (3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid would be expected to be very low.In non-polar solvents such as hexane and toluene the solubility would be expected to very low. The non - polar nature of these solvents means they cannot effectively interact with the polar carboxylic acid group of the compound.These solvents are non-polar and therefore cannot interact with the carboxylic acid groups of the compound. There are no significant dipole - dipole or hydrogen - bonding interactions possible between the non - polar solvent and the polar part of the 3 - (3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid molecule.The non-polar solvent cannot form significant hydrogen-bonding or dipole-dipole interactions with the polar part 3 – (3 - Bromo- 4 – Fluoro- Phenyl- Acrylic Acid molecule. However, the non - polar aromatic part of the compound may have some weak van der Waals interactions with the non - polar solvent, but these are not strong enough to result in high solubility.The non-polar aromatic part may have weak van der Waals interaction with the non-polar solvent. However, these interactions are not strong enough for high solubility.

In organic solvents with intermediate polarity, such as ethyl acetate, the solubility may be moderate.Solubility can be moderate in organic solvents of intermediate polarity such as ethyl-acetate. Ethyl acetate has both polar (carbonyl group) and non - polar (alkyl groups) parts.Ethyl Acetate contains both polar and non-polar parts (carbonyl groups). The polar carbonyl group can interact with the carboxylic acid group of the 3 - (3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid through dipole - dipole interactions, while the non - polar alkyl parts can interact with the non - polar aromatic ring.The dipole-dipole interactions between the polar carbonyl and the carboxylic group of the 3 ((Bromo- 4 – Fluoro- Phenyl-Acrylic Acid) can be used to interact the polar carbonyl with the carboxylic group, while the non-polar alkyl can interact the non-polar aromatic ring. This combination of interactions can lead to a relatively better solubility compared to highly non - polar solvents but may still be lower than in more polar solvents like alcohols.This combination of interactions may lead to a relative better solubility than highly non-polar solvents, but still be lower than more polar ones like alcohols.

Overall, the solubility of 3 - (3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid depends on the balance between the polar and non - polar interactions between the compound and the solvent, with polar solvents generally showing better solvation ability for this compound compared to non - polar solvents.Overall, the solubility is determined by the balance of polar and non-polar interactions between this compound and the solvent. Polar solvents are better at solvating this compound than non-polar solvents.

What is the purity of 3-(3-Bromo-4-Fluoro-Phenyl)Acrylic Acid usually?

The purity of 3-(3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid can vary significantly depending on several factors.The purity of 3-(3-Bromo- 4-Fluoro- Phenyl-Acrylic Acid) can vary greatly depending on several factors.
In research - grade products, the purity is often quite high.In research-grade products, purity is usually quite high. Chemical suppliers typically strive to offer high - purity compounds for scientific studies, especially when the compound is used in applications such as pharmaceutical research, where impurities can have a profound impact on experimental results.Chemical suppliers strive to provide high-purity compounds for scientific studies. This is especially true when the compound will be used in applications like pharmaceutical research where impurities could have a significant impact on experimental results. In such cases, the purity might be in the range of 95% or higher.In such cases, purity could be as high as 95%. This high purity ensures that the chemical properties and reactivity of the compound are consistent and predictable.This high purity ensures the chemical properties and reactivity are consistent and predictable. For example, when used in a reaction to synthesize a new drug candidate, a high - purity starting material like 3-(3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid helps in accurately controlling the reaction outcome and determining the structure - activity relationships of the final product.When used in a reaction for the synthesizing of a new drug, a high-purity starting material such as 3-(3-Bromo- 4-Fluoro- Phenyl-Acrylic acid) helps to accurately control the reaction outcome and determine the structure-activity relationships of the final products.

On the other hand, in industrial - scale production, the purity requirements may be different.Purity requirements for industrial-scale production may be different. If the compound is used as an intermediate in a large - scale manufacturing process where subsequent purification steps are planned, a slightly lower initial purity might be acceptable.If the compound is being used as an intermediary in a large-scale manufacturing process, where subsequent purification steps will be planned, a slightly less pure initial product might be acceptable. The purity in industrial settings could be around 80 - 90%.In industrial settings, the purity could be between 80 and 90%. This is because the cost - effectiveness of production becomes a crucial factor.Cost-effectiveness of production is a key factor. Producing a very high - purity compound right from the start can be extremely expensive due to the complex purification techniques required.Due to the complexity of the purification techniques, it can be very expensive to produce a compound with a high purity right from the beginning. However, even at this lower purity range, the impurities need to be carefully characterized and controlled to ensure that they do not interfere with the overall manufacturing process.Even at lower purity levels, impurities must be carefully characterized and monitored to ensure they do not interfere in the overall manufacturing process.

In some cases, if the 3-(3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid is obtained through less - refined synthetic methods or from less - regulated sources, the purity could be as low as 50 - 70%.Purity can be as low at 50-70 percent in some cases if the 3-(3-Bromo- 4-Fluoro- Phenyl-Acrylic Acid) is obtained by less-refined synthetic methods or less-regulated sources. Such lower - purity samples are less suitable for applications where high precision and reliability are required.These lower-purity samples are not suitable for applications that require high precision and reliability. But they might find use in some preliminary studies or in processes where the impurities can be tolerated or easily removed in subsequent steps.They may be useful for some preliminary studies, or in processes that tolerate impurities or can easily remove them in subsequent steps.

The purity of 3-(3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid is highly context - dependent.The purity of 3-(3-Bromo- 4-Fluoro- Phenyl-Acrylic Acid) is highly context-dependent. While research - grade products tend to have high purity for accurate experimental results, industrial applications may balance purity with cost - effectiveness, and less - refined sources may offer lower - purity versions with more limited uses.While research-grade products are often high-purity to ensure accurate experimental results, industrial uses may balance purity against cost-effectiveness, and less-refined sources may offer lower-purity versions with more limited applications.

What is the stability of 3-(3-Bromo-4-Fluoro-Phenyl)Acrylic Acid under different conditions?

3 - (3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid is an organic compound with specific stability characteristics under different conditions.3 - (3- Bromo- 4- Fluoro- Phenyl-)Acrylic Acid, an organic compound, has specific stability properties under different conditions.
Thermal Stability
Under relatively low - temperature conditions, this compound is likely to be stable.This compound is stable under low temperatures. However, as the temperature rises, decomposition can occur.As the temperature increases, decomposition may occur. The carbon - carbon double bond in the acrylic acid part is reactive.The double carbon-carbon bond in the acrylic acids is reactive. High temperatures can initiate processes like polymerization or degradation reactions.High temperatures can initiate polymerization and degradation reactions. For instance, above a certain temperature, the double bond might participate in free - radical - induced polymerization reactions.Above a certain temperature the double bond may participate in free-radical-induced polymerization. The bromine and fluorine substituents on the phenyl ring also play a role.The fluorine and bromine substituents of the phenyl rings also play a part. The bromine atom, being a good leaving group, could potentially be eliminated under thermal stress, especially in the presence of a suitable base or under conditions that facilitate heterolytic bond cleavage.Bromine is a good leaving group and could be eliminated by thermal stress. This is especially true in the presence or conditions that promote heterolytic bond cleavage.

Stability in Different SolventsStability of Different Solvents
In non - polar solvents such as hexane, the compound may have limited solubility.In non-polar solvents, such as hexane the compound may be limited in solubility. But its stability is relatively high as non - polar solvents do not provide the necessary environment for many common reaction mechanisms.Its stability is high, however, as non-polar solvents don't provide the environment necessary for many common reactions. In polar solvents like water or ethanol, different scenarios can unfold.In polar solvents such as water or ethanol, a variety of scenarios can occur. In water, the carboxylic acid group can ionize to some extent, depending on the pH.In water, the carboxylic group can ionize in some degree, depending on pH. If the pH is acidic, the compound will exist mainly in its neutral form.If the pH is acidic the compound will mainly exist in its neutral form. But in basic solutions, the carboxylate anion will be formed.In basic solutions, carboxylate anion is formed. The presence of the charged carboxylate can potentially influence the reactivity of the rest of the molecule.The presence of a charged carboxylate may influence the reactivity in the rest of a molecule. For example, it can enhance the likelihood of nucleophilic attack on the double bond or the phenyl ring.It can, for example, increase the likelihood of a nucleophilic attack against the double bond or phenyl rings. In ethanol, the compound may form hydrogen bonds with the solvent molecules through its carboxylic acid group.In ethanol, hydrogen bonds may be formed by the carboxylic acid groups of the compound with the solvent molecules. This interaction can either stabilize or destabilize the molecule depending on the overall energy of the system.This interaction can either destabilize or stabilize the molecule, depending on the energy of the system.

Stability under LightStability Under Light
The bromine and fluorine - substituted phenyl ring can absorb light of specific wavelengths.The phenyl ring substituted with fluorine and bromine can absorb specific wavelengths of light. Photochemical reactions can be initiated upon exposure to light.Light can initiate photochemical reactions. The bromine atom, in particular, can undergo homolytic cleavage upon absorption of light energy, generating a bromine radical.On absorption of light, the bromine atom can undergo homolytic cleavage, resulting in a bromine radical. This radical can then react with other parts of the molecule or with surrounding species.This radical can then interact with other parts of a molecule or surrounding species. The double bond in the acrylic acid moiety can also be involved in photochemical reactions such as [2 + 2] cycloadditions.The double bond of the acrylic acid moiety is also involved in photochemical processes such as [2+2] cycloadditions. Overall, the compound is likely to be less stable under light, especially ultraviolet light, compared to dark conditions.The compound is less stable in light conditions, especially under ultraviolet light.

Stability in the Presence of Chemical ReagentsStability of Chemical Reagents
In the presence of strong oxidizing agents, the double bond and the carboxylic acid group are potential targets.The double bond and carboxylic acid groups are targets that can be attacked in the presence of strong oxidizing substances. Oxidants can convert the double bond to various oxidation products, such as epoxides or diols.Oxidants may convert the double bonds into oxidation products such as diols or epoxides. The carboxylic acid group can also be further oxidized under extreme conditions.Under extreme conditions, the carboxylic acid group may also be further oxidized. Reducing agents can potentially react with the double bond, saturating it.Reducing agents may react with the double-bond, saturating them. Bases can deprotonate the carboxylic acid group, and the resulting carboxylate can participate in nucleophilic substitution or elimination reactions.Bases can deprotonate carboxylic acids, and the carboxylate resulting from this can participate in nucleophilic elimination or substitution reactions. Additionally, electrophiles can react with the double bond or the electron - rich phenyl ring, altering the structure and thus the stability of 3 - (3 - Bromo - 4 - Fluoro - Phenyl)Acrylic Acid.Electrophiles may also react with the double bonds or the electron-rich phenyl rings, altering the structure of 3 – (3 – Bromo – 4 – Fluoro – Phenyl-Acrylic Acid.