Chemical Formula | C8H5BrFN |
Molar Mass | 214.03 g/mol |
Appearance | Solid (likely white or off - white) |
Melting Point | Data needed |
Boiling Point | Data needed |
Density | Data needed |
Solubility In Water | Low solubility (organic compound, non - polar nature) |
Solubility In Organic Solvents | Soluble in common organic solvents like ethanol, acetone, etc. |
Pka | Data needed |
Flash Point | Data needed |
Vapor Pressure | Data needed |
Chemical Formula | C8H5BrFN |
Molar Mass | 214.03 g/mol |
Appearance | Solid (usually) |
Color | Typically white to off - white |
Odor | Unpleasant (estimated, as it's a specialized compound) |
Solubility In Water | Low solubility in water |
Solubility In Organic Solvents | Soluble in common organic solvents like dichloromethane, chloroform |
Boiling Point | Estimated to be in a range relevant to similar aromatic - nitrile compounds, likely around 200 - 300°C |
Density | Needs experimental determination, but expected to be in the range of related organic compounds with similar structures |
What are the main uses of 4-Bromo-2-fluorobenzyl cyanide?
4-Bromo-2-fluorobenzyl cyanide is a crucial compound in the field of organic synthesis. It has a wide range of uses and is often used as a key intermediate in the synthesis of various drugs in the field of medicinal chemistry.
Because the structure of drug molecules needs to be precisely designed and constructed, the specific functional groups of 4-bromo-2-fluorobenzyl cyanide can be skillfully connected with other molecular fragments by chemical synthesis, so as to construct drug molecules with specific pharmacological activities.
In the field of materials science, it also has its uses. It can participate in the synthesis of certain functional materials, or give materials unique chemical and physical properties. The properties of bromine, fluorine and cyanyl in this compound can affect the electronic structure, stability and reactivity of the material, which makes the material suitable for specific application scenarios, such as optoelectronic materials, polymer materials and other fields.
Furthermore, in the study of organic synthetic chemistry, 4-bromo-2-fluorobenzyl cyanide is often used as a model compound for researchers to explore new chemical reaction mechanisms and synthesis methods. Its special structure provides chemists with unique reaction check points and reactivity, which is conducive to the development of novel and efficient organic synthesis strategies and promotes the development of organic synthetic chemistry. Overall, 4-bromo-2-fluorobenzyl cyanide plays an indispensable role in many fields and has a profound impact on scientific research and industrial production.
4-Bromo-2-fluorobenzyl the physical properties of cyanide
4-Bromo-2-fluorobenzyl cyanide, this is an organic compound. Its physical properties are quite important and are related to many chemical applications.
Looking at its properties, under normal temperature and pressure, it often appears as a colorless to light yellow liquid. When the texture is pure, it is quite clear. This substance is volatile and persists in the air for a long time, or the amount is reduced due to volatilization. Its odor is special and irritating. You need to be careful when smelling it to prevent irritation of the respiratory tract.
When it comes to density, it is slightly more dense than water, so it will sink to the bottom in water. This property is crucial when it comes to the operation of mixing water with this substance, making it easy to separate the two. The boiling point of
is also one of its key physical properties. Under specific pressure conditions, it will boil when it reaches a certain temperature. This boiling point value makes the substance change from liquid to gaseous state when it reaches the corresponding temperature during the heating process, so that it can be used in separation operations such as distillation.
In terms of solubility, 4-bromo-2-fluorobenzyl cyanide is insoluble in water because its molecular structure contains a large proportion of hydrophobic groups. However, it can be soluble in many organic solvents, such as common ether, dichloromethane, etc. This solubility provides convenience for its use in organic synthesis reactions, and suitable organic solvents can be selected to fully dissolve it and promote the reaction.
In addition, the stability of the substance to light and heat also needs to be concerned. Under light or high temperature environments, chemical reactions may be triggered, causing decomposition or structural changes. Therefore, when storing, it should be placed in a cool and dark place to ensure the stability of its physical properties for subsequent chemical research and application.
4-Bromo-2-fluorobenzyl the chemistry of cyanide
4-Bromo-2-fluorobenzyl cyanide, this is an organic compound with unique chemical properties.
Its chemical activity is quite high. The bromine and fluorine atoms in the molecule give special electronic effects. The bromine atom is relatively large and has a certain tendency to leave. In the nucleophilic substitution reaction, it can be used as a leaving group and can react with a variety of nucleophilic reagents. For example, when reacted with sodium alcohol, the bromine atom is replaced by an alkoxy group to form a corresponding ether compound; when reacted with an amine, a nitrogen-containing derivative is formed. Fluorine atoms have strong electronegativity, which has a significant impact on the electron cloud density distribution of the benzene ring, reducing the electron cloud density of the benzene ring, thereby affecting the electrophilic substitution reaction activity on the benzene ring, so that the reaction is more inclined to occur at a relatively high electron cloud density position.
Benzyl cyanide part, cyano (-CN) is a strong electron-absorbing group, which enhances molecular polarity and improves its solubility in polar solvents. Cyanyl is chemically active and can undergo hydrolysis reactions. Under acidic or alkaline conditions, cyanyl groups are gradually converted into carboxyl groups (-COOH) to generate 4-bromo-2-fluorobenzoic acid; reduction reactions can also occur. Under the action of a specific reducing agent, cyanyl groups are reduced to amino groups (-NH2O) to obtain amino-containing compounds.
Its stability is affected by environmental factors. When exposed to heat, light or a specific catalyst, it may trigger intramolecular rearrangement or decomposition reactions. At high temperatures, bromine atoms may be removed, forming unsaturated intermediates, and then complex reactions such as polymerization occur.
In the field of organic synthesis, 4-bromo-2-fluorobenzyl cyanide, as an important intermediate, is widely used in medicinal chemistry, materials science, etc. Due to its unique chemical properties, it can construct a variety of complex organic structures, laying the foundation for the synthesis of new drugs and functional materials.
What is the synthesis method of 4-Bromo-2-fluorobenzyl cyanide?
The synthesis of 4-bromo-2-fluorobenzyl cyanide is an important topic in the field of organic synthesis. To prepare this compound, the common method is to carry out nucleophilic substitution reaction with 4-bromo-2-fluorobenzyl halide and cyanide.
First take 4-bromo-2-fluorobenzyl halide. In this halide, halogens such as bromine atoms or chlorine atoms are active leaving groups. Another cyanide is prepared, such as sodium cyanide, potassium cyanide, etc. The two are placed in appropriate reaction solvents, such as dimethyl formamide (DMF), dimethyl sulfoxide (DMSO) and other polar aprotic solvents. Such solvents can improve the solubility of ions, which is conducive to the nucleophilic substitution reaction. During the
reaction, the cyanide ion (CN) acts as a nucleophilic reagent, and with its electron-rich properties, attacks the carbon atom connected to the halogen in the 4-bromo-2-fluorobenzyl halide. This carbon atom is partially positive due to the electron-absorbing effect of the halogen and is vulnerable to attack by the nucleophilic reagent. When the halogen leaves, 4-bromo-2-fluorobenzyl cyanide is formed.
During the reaction, the reaction temperature should be paid attention to. Generally speaking, moderate heating can speed up the reaction rate, but if the temperature is too high, it may cause side reactions, such as the elimination Usually the reaction temperature is controlled between 50-80 ℃.
After the reaction is completed, the separation and purification of the product is also critical. The reaction solution can be extracted by extraction with a suitable organic solvent to separate the product from the reaction system. After further purification by column chromatography and other means, impurities are removed to obtain high-purity 4-bromo-2-fluorobenzyl cyanide.
In addition, other cyanide-containing reagents, such as trimethylsilyl cyanide (TMSCN), are also prepared by reacting with 4-bromo-2-fluorobenzyl halides under the action of specific catalysts. However, this method may involve more expensive reagents and complex reaction conditions, which requires consideration in practical application.
What are the precautions for 4-Bromo-2-fluorobenzyl cyanide in storage and transportation?
4-Bromo-2-fluorobenzyl cyanide, a highly toxic chemical, must be stored and transported with extreme caution.
Store first, be sure to store in a cool, dry and well-ventilated place. Because of its lively nature, if the environment temperature and humidity are not appropriate, it may cause danger. Keep away from fire and heat sources Needless to say, this is the key to avoid fire and explosion. It should be stored separately from oxidants, acids, alkalis, etc., and must not be mixed to prevent mutual reaction. In the warehouse, there should be suitable materials to contain leaks. If there is a leak, it can be properly handled in time.
Besides transportation, the packaging must be complete and sealed before transportation. During transportation, it is necessary to ensure that the container does not leak, collapse, fall or damage. The trough (tank) car used during transportation should have a grounding chain, and holes can be set in the trough to baffle to reduce shock and generate static electricity. It is strictly forbidden to mix and transport with oxidants, acids, alkalis, edible chemicals, etc. During transportation, it should be protected from exposure to the sun, rain and high temperature. Stay away from fire, heat sources and high temperature areas during stopovers. Road transportation should follow the prescribed route and do not stop in residential areas and densely populated areas. It is forbidden to slip during railway transportation.
In conclusion, the storage and transportation of 4-bromo-2-fluorobenzyl cyanide is a matter of safety, and relevant regulations and operating procedures must be strictly followed. A little carelessness can lead to disaster.