Name | 4-Bromo-2-fluorobenzyl bromide |
Chemical Formula | C7H5Br2F |
Molar Mass | 267.92 g/mol |
Appearance | Colorless to light yellow liquid |
Boiling Point | 239 - 240 °C |
Melting Point | N/A |
Density | 1.946 g/cm³ |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform |
Flash Point | 104 °C |
Purity | Typically available in high purity (e.g., 95%+) |
Chemical Formula | C7H5Br2F |
Molar Mass | 269.92 g/mol |
Appearance | colorless to light yellow liquid |
Boiling Point | ~247 - 249 °C |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform |
Hazard Class | Irritant, harmful if swallowed, inhaled or in contact with skin |
What are the main uses of 4-Bromo-2-fluorobenzyl bromide?
4-Bromo-2-fluorobenzyl bromide, this is an organic compound. Its main uses are quite extensive, and it is a key intermediate in the field of organic synthesis.
One of them is often used to construct complex organic molecular structures. Chemists can interact with many nucleophiles, such as alcohols, amines, and mercaptans, through nucleophilic substitution reactions. For example, when reacted with alcohols, ether compounds can be formed; when reacted with amines, nitrogen-containing derivatives can be formed. This process is like building a delicate chemical "building block", using 4-bromo-2-fluorobenzyl bromide as the basic module to gradually build diverse and complex organic structures.
Second, it is of great significance in the field of medicinal chemistry. In the process of many drug development, specific functional groups or structural fragments need to be introduced to optimize drug activity, solubility and metabolic properties. The unique structure of 4-bromo-2-fluorobenzyl bromide can be involved in the construction of drug molecules. It may be used as a key pharmacophore component, or to improve the interaction between drugs and targets, thereby enhancing drug efficacy.
Third, it also has applications in materials science. For example, when synthesizing organic materials with specific photoelectric properties, it can be used as a structural unit to participate in the polymerization reaction, imparting unique electrical and optical properties to the material, such as for the preparation of organic Light Emitting Diode (OLED) materials, photoconductive materials, etc., to meet the needs of different fields for special performance materials.
What are the synthetic methods of 4-Bromo-2-fluorobenzyl bromide?
The method for synthesizing 4-bromo-2-fluorobenzyl bromide, as described in past books, is generally as follows.
First, 4-bromo-2-fluorotoluene can be started. First, N-bromosuccinimide (NBS) is used as the bromination reagent, azobisisobutyronitrile (AIBN) is used as the initiator, and it is heated and refluxed in an inert solvent such as carbon tetrachloride. This is the radical substitution reaction mechanism. NBS provides bromine radicals, which attack the hydrogen atom at the benzyl position of toluene, thereby generating 4-bromo-2-fluorobenzyl bromide. When reacting, it is necessary to pay attention to the amount of NBS. If it is too much, it may cause the formation of polybrominated products; if it is too little, the reaction will not be complete. Temperature is also critical, and the reflux temperature needs to be strictly controlled to ensure a smooth and efficient reaction.
Second, it can also start from 4-bromo-2-fluorobenzoic acid. First reduce it to 4-bromo-2-fluorobenzyl alcohol, which can be reduced by lithium aluminum hydride (LiAlH) in anhydrous ether and other solvents. This reduction process requires strict reaction environment and requires anhydrous and oxygen-free, because lithium aluminum hydride reacts violently with water. After obtaining 4-bromo-2-fluorobenzyl alcohol, it is treated with hydrobromic acid (HBr) or phosphorus tribromide (PBr). Taking hydrobromic acid as an example, at an appropriate temperature, the alcohol hydroxyl group is replaced by a bromine atom, so 4-bromo-2-fluorobenzyl bromide is obtained. This path has a little more steps, but the reaction selectivity of each step is better and easy to control.
Third, start with 4-bromo-2-fluorobenzaldehyde. First, it is reduced to 4-bromo-2-fluorobenzyl alcohol by sodium borohydride (NaBH), and the reaction is relatively mild and easy to control. The target product 4-bromo-2-fluorobenzyl bromide is obtained by converting the alcohol into halogenated hydrocarbons after treatment with hydrobromic acid or phosphorus tribromide. The raw material of this route is easier to obtain, and the reaction process is relatively safe and simple.
What are the physical properties of 4-Bromo-2-fluorobenzyl bromide?
4-Bromo-2-fluorobenzyl bromide is an organic compound. Its physical properties are quite critical and it is widely used in chemical research and related industrial fields.
Looking at its properties, under room temperature and pressure, 4-bromo-2-fluorobenzyl bromide is in a colorless to light yellow liquid state. This appearance feature is conducive to preliminary identification and identification. Its odor is particularly irritating and pungent. This odor property warns people to be cautious when operating, because it may cause adverse effects on human respiratory tract and skin.
When it comes to melting point and boiling point, there is no exact conventional value for the melting point, but the boiling point is about 240 ° C. The characteristics of boiling point are of great significance in chemical operations such as separation and purification. According to the difference in boiling point, it can be effectively separated from the mixture by distillation and other means.
In terms of solubility, 4-bromo-2-fluorobenzyl bromide is insoluble in water, but easily soluble in common organic solvents such as ether, chloroform, dichloromethane, etc. This solubility characteristic determines its existence state and reaction behavior in organic synthesis reaction systems, providing an important basis for the selection of reaction solvents.
The density is about 1.9 g/cm ³, which is heavier than water. The value of the density has a great influence on the phase separation and storage of the substance, which can help to determine its distribution position in the mixed system.
In addition, 4-bromo-2-fluorobenzyl bromide has a low vapor pressure and relatively weak volatility. This property is crucial during storage and transportation. Because of its weak volatility, it can be stored relatively stably under conventional conditions, reducing losses and safety hazards caused by volatilization.
In summary, the physical properties of 4-bromo-2-fluorobenzyl bromide, such as its properties, odor, melting point, solubility, density, and vapor pressure, are of great significance for its research, production, and application in the chemical field, and lay the foundation for the proper treatment and use of this substance.
4-Bromo-2-fluorobenzyl bromide in storage and transportation
4-Bromo-2-fluorobenzyl bromide is also an organic compound. When storing and transporting, care should be taken to prevent accidents.
First storage, this compound should be stored in a cool, dry and well-ventilated place. Because it is more sensitive to heat, if placed in a high temperature, it may cause changes such as decomposition, damage its quality, or even cause danger. Therefore, it should be kept away from direct sunlight and heat sources. And it should be kept away from fires, because the substance may be flammable, and it is easy to cause fire in case of open flames, endangering safety.
Furthermore, the storage must be separated from oxidants, strong alkalis and other substances. Cover 4-bromo-2-fluorobenzyl bromide can chemically react with many of these substances, or even cause violent reactions, causing the risk of explosion.
As for transportation, appropriate packaging materials must be used. The packaged goods should be sturdy and durable to prevent damage and leakage due to collision, vibration, etc. during transportation. And on the packaging, its name, characteristics, hazards and other relevant information should be clearly marked so that transporters and regulators can know.
During transportation, it is necessary to ensure the smooth operation of the transportation vehicle and avoid bumps. The driving speed should also be moderate to prevent sudden braking, sharp turning and other operations to prevent damage to the packaging. In case of bad weather during transportation, such as heavy rain, high temperature, etc., corresponding protective measures should be taken, such as shading, cooling, etc., to ensure the safety of the goods.
In short, the storage and transportation of 4-bromo-2-fluorobenzyl bromide is related to safety and quality. All links should not be ignored. It must be operated in accordance with specifications to ensure safety.
What is the market price range for 4-Bromo-2-fluorobenzyl bromide?
The market price range of 4-bromo-2-fluorobenzyl bromide is difficult to determine with certainty. This compound is used in many fields such as chemical industry, pharmaceutical research and development, but its price is determined by multiple factors.
First, the cost of raw materials is the key factor. If the starting material required for the preparation of 4-bromo-2-fluorobenzyl bromide is difficult to obtain, the amount of production and the market supply and demand situation are different, it will cause its cost to fluctuate, which in turn will affect the price of the finished product. For example, if the special halides required for the preparation of raw materials are scarce and expensive, the cost of 4-bromo-2-fluorobenzyl bromide will increase, and the price will also rise.
Second, the complexity of the production process is also related. If the synthesis of this compound requires a multi-step reaction, and the reaction conditions of each step are harsh, the requirements for reaction equipment and technical control are very high, and there are many side reactions in the production process, which requires complicated separation and purification steps. This increases the difficulty of production, increases the cost, and the market price will be in a higher range.
Third, the market supply and demand relationship has a great impact. If the demand for this compound in fields such as pharmaceutical research and development surges at a certain time, and the supply is relatively insufficient, the price will rise; conversely, if the market demand is flat and the supply is sufficient, the price will fall.
Fourth, the purity of the product also affects the price. High-purity 4-bromo-2-fluorobenzyl bromide is often used in high-end pharmaceutical research and development, with extremely low requirements for impurity content, and its preparation cost is high, so the price is much higher than that of ordinary purity products.
Generally speaking, in the chemical raw material market, the price per gram of ordinary purity 4-bromo-2-fluorobenzyl bromide may be around tens of yuan to hundreds of yuan; if it is high-purity, for specific high-end pharmaceutical research purposes, the price per gram may exceed 100 yuan, or even higher, or hundreds of yuan per gram, depending on the actual market conditions.