Methyl 3 Bromo 4 Iodobenzoate
Iodobenzene

Methyl 3-bromo-4-iodobenzoate

Fengxi Chemical

Specifications

HS Code

867185

Name Methyl 3 - bromo - 4 - iodobenzoate
Molecular Formula C8H6BrIO2
Molecular Weight 326.94 g/mol
Appearance Solid (predicted, based on similar aromatic esters)
Boiling Point Estimated around 300 - 350 °C (decomposes, due to the presence of halogens and ester group)
Solubility In Water Insoluble (hydrophobic due to aromatic and ester groups)
Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform, ethyl acetate
Density Estimated around 2.0 - 2.2 g/cm³ (higher due to heavy halogens)
Chemical Formula C8H6BrIO2
Molar Mass 353.94 g/mol
Appearance Solid (likely white or off - white)
Boiling Point Estimated high due to heavy atoms, no exact value provided
Melting Point No specific value given, but organic halide esters usually have a defined mp
Solubility In Water Low, as it is an organic ester with halogen substituents
Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform
Density No specific value available, but likely denser than water due to heavy halogens
Reactivity Reactive at the ester group (hydrolysis, trans - esterification) and at the halogen - substituted aromatic ring (nucleophilic aromatic substitution)
Hazard Irritant, bromine and iodine containing compounds may pose health risks, and esters can be flammable
Name Methyl 3 - bromo - 4 - iodobenzoate
Molecular Formula C8H6BrIO2
Molar Mass 326.94 g/mol
Appearance Solid (likely white or off - white)
Physical State At Room Temperature Solid
Solubility In Water Low (organic compound with non - polar parts)
Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform
Reactivity Reactive at bromo and iodo positions for substitution reactions
Chemical Formula C8H6BrIO2
Molar Mass 341.94 g/mol
Appearance Solid (usually)
Physical State At Room Temp Solid
Color Typically white to off - white
Solubility In Water Insoluble
Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform
Melting Point 75 - 79 °C
Stability Stable under normal conditions, but sensitive to light and strong reducing agents
Packing & Storage
Packing 100g of Methyl 3 - bromo - 4 - iodobenzoate packaged in a sealed, labeled bottle.
Storage Methyl 3 - bromo - 4 - iodobenzoate should be stored in a cool, dry, well - ventilated area, away from sources of heat and ignition. Keep it in a tightly sealed container to prevent exposure to air and moisture, which could potentially lead to degradation. Store it separately from incompatible substances, like strong oxidizing agents, in a dedicated chemical storage cabinet for safety.
Shipping Methyl 3 - bromo - 4 - iodobenzoate is shipped in well - sealed, corrosion - resistant containers. It follows strict hazardous chemical shipping regulations, ensuring proper labeling and handling to prevent any spillage or damage during transit.
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Methyl 3-bromo-4-iodobenzoate Methyl 3-bromo-4-iodobenzoate Methyl 3-bromo-4-iodobenzoate
General Information
Frequently Asked Questions
What are the chemical properties of Methyl 3-bromo-4-iodobenzoate?
Methyl 3-bromo-4-iodobenzoate is an organic compound. It has unique chemical properties. From the structural point of view, the skeleton of benzoate gives it a certain stability.
Its chemical activity is partially due to the presence of bromine and iodine atoms. Bromine and iodine atoms have strong electronegativity, which can change the electron cloud density distribution on the benzene ring, which in turn affects the reactivity of the compound. In the nucleophilic substitution reaction, bromine and iodine atoms are easily replaced by nucleophiles, because the halogen atom can be used as the leaving group.
Furthermore, the presence of ester groups also affects the properties of the compound. Ester groups can undergo hydrolysis reactions under acidic or basic conditions. In acidic media, the hydrolysis reaction is relatively mild. After protonation, water attack, and leaving group detachment, benzoic acid and corresponding alcohols are formed; under basic conditions, hydrolysis is more thorough, and carboxylic salts and alcohols are formed.
In addition, due to the existence of the benzene ring conjugation system, the compound can participate in reactions such as electrophilic substitution. The bromine and iodine atoms on the benzene ring are ortho-para localizers, which will guide the electrophilic reagents to attack the specific position of the benzene ring and affect the selectivity of the reaction products. This compound is rich in chemical properties and has important applications in the field of organic synthesis. It can be used as an intermediate for the preparation of more complex organic molecules.
What are the synthetic methods of Methyl 3-bromo-4-iodobenzoate?
There are generally the following methods for preparing methyl 3-bromo-4-iodobenzoate.
First, it can be obtained from the esterification reaction of 3-bromo-4-iodobenzoic acid and methanol. This reaction requires concentrated sulfuric acid as a catalyst and is carried out under heating conditions. The principle is that under the action of the catalyst, the carboxyl group of the acid and the hydroxyl group of the alcohol dehydrate and condensate to form an ester group. First, 3-bromo-4-iodobenzoic acid and an appropriate amount of methanol are placed in a reaction vessel, slowly add concentrated sulfuric acid, mix well, and heat to reflux for a certain period of time. After the reaction is completed, it is cooled, diluted with water, the product is extracted in an organic solvent, and then purified by drying and distillation to obtain methyl 3-bromo-4-iodobenzoate.
Second, benzoic acid can be used as the starting material, brominated, iodized, and then esterified. When benzoic acid is brominated, a suitable brominating agent, such as N-bromosuccinimide (NBS), can be selected. In the presence of light or initiator, bromine atoms can be introduced at specific positions in the benzene ring. Bromobenzoic acid is obtained, and then iodized, with iodine and a suitable oxidant, iodine atoms are introduced under suitable conditions. Finally, the esterification reaction with methanol is carried out. With the above esterification operation, after a series of post-treatments, the target product can also be obtained.
Third, the halogenated aromatics are used as the starting materials, and the benzene ring is constructed by metal catalytic coupling reaction, and then the carboxyl group is introduced and esterified. For example, with suitable halogenated aromatics and reagents containing bromine and iodine, under the action of metal catalysts such as palladium, the benzene ring structure containing bromine and iodine is formed by coupling reaction. Then the carboxyl group is introduced through a specific reaction, and then esterified with methanol. Although this route step is complex, it can flexibly regulate the position and type of substituents on the benzene ring. All methods have advantages and disadvantages, and the actual operation needs to be comprehensively selected according to the availability of raw materials, cost, reaction conditions and other factors.
Where is Methyl 3-bromo-4-iodobenzoate used?
Methyl 3-bromo-4-iodobenzoate is an important compound in organic chemistry. In the field of medicinal chemistry, its use is quite extensive. Due to the halogen atoms such as bromine and iodine and the structure of benzoate, it can be used as a key intermediate for the synthesis of a variety of biologically active compounds. For example, when developing new antibacterial drugs, specific functional groups can be introduced by modifying the structure of the compound to obtain molecules with antibacterial activity.
In the field of materials science, methyl 3-bromo-4-iodobenzoate also has potential applications. Its unique structure may endow materials with special photoelectric properties. For example, in the preparation of organic optoelectronic materials, the introduction of polymers as structural units is expected to regulate the electron transport and optical absorption properties of materials, and then be applied to organic Light Emitting Diodes, solar cells and other devices.
In addition, in organic synthesis chemistry, the compound can participate in many classical organic reactions, such as nucleophilic substitution reactions and metal-catalyzed coupling reactions, due to the activity of halogen atoms. Through these reactions, more complex organic molecular structures can be constructed, providing an important cornerstone for the development of organic synthesis chemistry. In short, methyl 3-bromo-4-iodobenzoate has important application value in many fields, promoting the development and progress of related disciplines.
What are the storage conditions for Methyl 3-bromo-4-iodobenzoate?
Methyl 3-bromo-4-iodobenzoate is also an organic compound. Its storage conditions are crucial and related to the stability and quality of this substance.
This substance should be stored in a cool and dry place. A cool place can avoid the disturbance of high temperature. High temperature can accelerate its chemical reaction, causing it to decompose or deteriorate. In hot summer sun or high temperature environment, the internal molecular structure of methyl 3-bromo-4-iodobenzoate may change and lose its original chemical properties.
Dry environment is also indispensable. Moisture can easily lead to many problems, such as hydrolysis reaction. If the environment is humid, the moisture comes into contact with the compound, or causes it to hydrolyze, forming other substances, which will damage its purity and utility.
and should be placed in a well-ventilated place. If the ventilation is smooth, it can dissipate harmful gases that may be generated and maintain the safety of the storage environment. If the gas accumulates, it may increase the risk of explosion, poisoning, etc.
Furthermore, it must be kept away from fire, heat sources and oxidants. Fire and heat sources can easily cause combustion because of their flammability. Contact with oxidants may cause severe oxidation reactions, resulting in safety accidents.
When storing, it should also be stored separately from other chemicals to prevent mutual reaction. The chemical properties of different chemicals are different, accidentally mixed, or accidental.
In summary, methyl 3-bromo-4-iodobenzoate should be stored in a cool, dry and well-ventilated place, away from fire, heat sources, and oxidants, and stored separately from other substances, so as to maintain its stability for subsequent use.
What is the market price of Methyl 3-bromo-4-iodobenzoate?
The price of methyl-3-bromo-4-iodobenzoate is difficult to determine in the market. The fluctuation of its price is affected by various factors.
The first to bear the brunt is the price of raw materials. The price of bromide, iodide and benzoate esters fluctuates from time to time. If the origin and output of raw materials change, or are affected by weather, politics, and trade, the price will change, and the cost of methyl-3-bromo-4-iodobenzoate will also change, eventually causing the price to fluctuate between markets.
Furthermore, the difficulty and cost of preparation are also key. The synthesis of this compound requires specific reaction conditions, catalysts and processes, and the process may involve complicated steps and fine operations. If the preparation technology is innovative and the cost is reduced, the price may be lowered; conversely, if the technology is blocked and the cost rises, the price will also rise.
The trend of market supply and demand also affects its price. If the demand for this product increases sharply in many industries, such as medicine, materials and other fields, it is used as a key intermediate, and the supply is limited, the price will increase; if the demand is weak and the supply exceeds the demand, the price will decline.
In addition, the location, trade links, and quality grades are all related to the price. In different regions, due to differences in taxes and logistics costs, prices may vary; the number of trade links also increases or decreases prices; those with high quality are often higher than ordinary grades.
Therefore, in order to know the exact inter-market price of methyl-3-bromo-4-iodobenzoate, it is necessary to gain real-time insight into the raw material market, preparation process progress, market supply and demand, and related trade details, and comprehensively consider many aspects.