Chemical Formula | C7H3BrF3I |
Molecular Weight | 350.80 |
Appearance | Liquid (usually) |
Boiling Point | Data may vary, around 210 - 230 °C (estimated) |
Density | Data may vary, but expected to be heavier than water |
Solubility In Water | Insoluble |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform |
Vapor Pressure | Low vapor pressure at room temperature |
What is the chemistry of 2-Bromo-3-iodobenzotrifluoride?
2-Bromo-3-iodine trifluorotoluene, this is an organic compound. In terms of physical properties, it is mostly liquid at room temperature and has certain volatility. Due to the fluorine atom, its molecular polarity is unique, which affects the solubility and other properties. Usually it has good solubility in organic solvents such as dichloromethane and chloroform, but poor solubility in water.
Chemically, its halogen atoms (bromine and iodine) are active and can participate in many chemical reactions. One is the nucleophilic substitution reaction. Under suitable conditions for nucleophilic reagents and reactions, bromine atoms or iodine atoms are easily replaced by nucleophilic reagents. For example, when reacted with sodium alcohol, corresponding ether compounds can be formed; when reacted with amines, nitrogen-containing derivatives can be formed. The second is a metal catalytic coupling reaction. When a metal catalyst such as a palladium catalyst exists, it can be coupled with other organometallic reagents to form a carbon-carbon bond. For example, Suzuki coupling reaction with aryl boric acid can prepare polyaryl compounds. This reaction is widely used in organic synthesis and helps to synthesize organic molecules with complex structures. Third, due to the strong electron-withdrawing property of trifluoromethyl, the electron cloud density of the benzene ring is reduced, resulting in a change in the activity of electrophilic substitution reactions on the benzene ring. Compared with ordinary benzene rings, electrophilic substitution reactions are more difficult to occur, and the position selectivity of substitution is also affected, which mostly occurs in positions with relatively high electron cloud density. In conclusion, 2-bromo-3-iodotrifluorotoluene contains functional groups and special structures, which are of great value in the field of organic synthesis and can be used as key intermediates for the preparation of various organic compounds.
What are the main uses of 2-Bromo-3-iodobenzotrifluoride?
2 - Bromo - 3 - iodobenzotrifluoride, this is an organic compound with a wide range of uses.
First, it is often used as a key intermediate in the field of pharmaceutical synthesis. Because of its unique structure and active functional groups, this compound can participate in various chemical reactions and help build complex drug molecular structures. For example, through nucleophilic substitution, its bromine or iodine atoms can be replaced by other active groups, and then compounds with specific pharmacological activities can be synthesized, which can be used to develop new drugs to fight various diseases such as cancer and cardiovascular diseases.
Second, it also has important applications in the field of materials science. Due to its trifluoromethyl content, the material is endowed with unique physical and chemical properties, such as excellent thermal stability, chemical stability and weather resistance. Therefore, it can be used to prepare high-performance materials, such as special plastics, coatings, etc. Introducing it into polymer structures can significantly improve the properties of materials and meet the needs of high-end fields such as aerospace and electronics for special properties of materials.
Third, it is a commonly used reagent in the study of organic synthetic chemistry. Chemists use it to study various reaction mechanisms and explore new synthesis methods. By manipulating its reaction conditions and reactants, the construction of specific organic molecules can be realized, providing important means and ideas for the development of organic synthetic chemistry, and promoting the progress of the frontier field of organic synthetic chemistry.
What is 2-Bromo-3-iodobenzotrifluoride synthesis method?
To prepare 2-bromo-3-iodotrifluorotoluene, the following ancient method can be used.
Starting material, 2-bromotrifluorotoluene can be selected. This is a commonly used substance in organic synthesis. Shilling 2-bromotrifluorotoluene is mixed with an appropriate amount of iodine substitution reagent. This iodine substitution reagent is often used in combination with iodine elemental substance (I ²) and an appropriate oxidizing agent. The oxidizing agent, such as a mixture of concentrated sulfuric acid and nitric acid, can help the iodine elemental substance be converted into a more active electrophilic reagent to facilitate the reaction.
Place 2-bromotrifluorotoluene in a clean, dry reactor. The kettle must be resistant to acid and alkali and high temperature. Then, slowly add the iodine-substituted reagent, and pay close attention to the reaction temperature during this period. Initially, the temperature should be maintained at a low temperature, about 0 ° C to 10 ° C, to facilitate the formation and initial reaction of electrophilic reagents. As the reaction progresses, gradually raise the temperature to 30 ° C to 50 ° C to allow the reaction to proceed fully. During this process, stirring must be uniform and continuous to ensure that the reactants are fully contacted.
After a period of reaction, the reaction progress is monitored by thin layer chromatography (TLC). When the raw material point is almost gone and the product point is clearly visible, the reaction can be regarded as basically completed.
After the reaction is completed, pour the reaction solution into an appropriate amount of ice water to stop the reaction and quench the unreacted reagents. At this time, the product 2-bromo-3-iodotrifluorotoluene often floats on the liquid surface due to hydrophobicity. The reaction solution is extracted several times with an organic solvent, such as dichloromethane or ether, and the organic phases are combined.
The resulting organic phase is extracted and washed with a saturated sodium bicarbonate solution and distilled water to remove residual acid and water-soluble impurities. Afterwards, anhydrous sodium sulfate or magnesium sulfate are added to dry the organic phase and left to stand for a while to allow moisture to be adsorbed by the desiccant.
The dried organic phase is moved into the distillation device. First, the organic solvent with low boiling point is distilled at atmospheric pressure to remove the organic solvent. Afterwards, vacuum distillation is used to collect the fraction in a specific temperature range, which is pure 2-bromo-3-iodotrifluorotoluene. Vacuum distillation can reduce the boiling point of the product and avoid the decomposition of the product at high temperature, so as to improve the yield and purity of the product.
What 2-Bromo-3-iodobenzotrifluoride need to pay attention to when storing and transporting
2-Bromo-3-iodine trifluorotoluene is an organic compound. When storing and transporting, many matters need to be paid attention to.
First, the storage place must be cool and dry. This compound is afraid of moisture, and humid conditions can easily cause it to react and damage quality. Therefore, the storage place should avoid water sources and maintain good ventilation to prevent moisture accumulation.
Second, keep away from fire and heat sources. Because of its flammability, it is dangerous to encounter open flames, hot topics, or cause combustion, or even explosions. Therefore, in the place of storage and transportation, fireworks are strictly prohibited, and heat sources are strictly controlled, such as heating pipes, high temperature equipment, etc., should be kept at a safe distance.
Furthermore, this compound should be stored separately from oxidants, strong alkalis and other substances. Due to its active chemical properties, contact with oxidants, or initiate violent oxidation reactions; when it encounters strong alkalis, uncontrollable chemical reactions may also occur, resulting in dangerous conditions.
When transporting, the packaging must be strong and tight. Select appropriate packaging materials to prevent damage to the packaging due to vibration, collision, etc. during transportation, resulting in leakage. At the same time, transportation vehicles need to be equipped with corresponding safety equipment and emergency treatment tools to prepare for emergencies.
In addition, relevant operators must be professionally trained and familiar with the characteristics of the compound and safe operating procedures. During transportation and storage, strictly follow the established rules and regulations and operating procedures, and must not be negligent. Only in this way can the safety of 2-bromo-3-iodotrifluorotoluene be ensured during storage and transportation, and accidents can be avoided.
2-Bromo-3-iodobenzotrifluoride impact on the environment and people
2-Bromo-3-iodotrifluorotoluene, the impact of this substance on the environment and the human body needs to be carefully observed.
At the environmental end, its chemical properties are relatively stable. If accidentally released into the environment, it will be difficult to degrade, or cause long-term residues. If it enters the soil, it may affect the soil quality, hinder the uptake of nutrients by plant roots, and then affect plant growth, causing regional ecological balance imbalance. Entering the water body, it will spread with the water flow, pollute the water source, and cause great harm to aquatic organisms. It may cause damage to the physiological functions of aquatic organisms such as fish and shellfish, interfere with their reproduction, development and survival, and in severe cases, it can cause a sharp decrease in the population and destroy the structure and function of aquatic ecosystems.
As for the effects on the human body, 2-bromo-3-iodine trifluorotoluene may be toxic. Inhalation through the respiratory tract can irritate the respiratory mucosa, causing cough, asthma, breathing difficulties and other symptoms. If exposed to the skin, it may cause skin allergies, redness, swelling, itching, and even burns. If ingested accidentally, it will damage the digestive system, have nausea, vomiting, abdominal pain, diarrhea, etc., and may involve other organs, such as the liver and kidneys, through blood circulation, affecting their normal metabolism and excretion function. Long-term exposure may increase the risk of cancer. Therefore, the production, use and disposal of 2-bromo-3-iodotrifluorotoluene must follow strict regulations to prevent it from causing serious harm to the environment and people.