4 Cyano 2 Iodo N Methylsulfonyl 5 Trifluoromethyl Aniline
Iodobenzene

4-cyano-2-iodo-n-methylsulfonyl-5-(trifluoromethyl)aniline

Fengxi Chemical

Specifications

HS Code

483938

Chemical Formula C9H6F3IN2O2S
Molar Mass 398.12 g/mol
Appearance Solid (usually)
Physical State At Room Temp Solid
Solubility In Water Low solubility
Solubility In Organic Solvents Moderate solubility in some organic solvents like dichloromethane
Melting Point Data needed
Boiling Point Data needed
Density Data needed
Pka Data needed
Flash Point Data needed
Vapor Pressure Data needed
Chemical Formula C9H6F3IN2O2S
Molecular Weight 388.12
Appearance Solid (usually)
Color May vary, often white to off - white
Odor Typically has a characteristic organic odor
Melting Point Specific value would require experimental determination
Solubility Solubility in common organic solvents like dichloromethane, chloroform, etc. Solubility in water is likely very low
Density Experimental determination needed for exact value
Stability Stable under normal conditions, but may react with strong oxidizing or reducing agents
Hazard Class May be toxic, harmful if swallowed, inhaled or in contact with skin; may also be an irritant
Chemical Formula C9H6F3IN2O2S
Molecular Weight 390.12
Chemical Formula C9H6F3IN2O2S
Molecular Weight 388.12
Appearance Solid (Typical)
Color Off - white to light yellow
Odor May have a characteristic odor
Melting Point Data - specific value required
Boiling Point Data - specific value required
Solubility In Water Low solubility (Organic - soluble)
Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform
Pka Data - specific value required
Logp Data - specific value required
Packing & Storage
Packing 100 - gram pack of 4 - cyano - 2 - iodo - N - methylsulfonyl - 5 - (trifluoromethyl)aniline in sealed container.
Storage 4 - cyano - 2 - iodo - N - methylsulfonyl - 5 - (trifluoromethyl)aniline should be stored in a cool, dry, well - ventilated area, away from sources of heat, ignition, and strong oxidizing agents. Keep it in a tightly sealed container to prevent exposure to air and moisture, which could potentially cause decomposition or reaction. Store it in a dedicated chemical storage cabinet, separate from incompatible substances.
Shipping 4 - cyano - 2 - iodo - n - methylsulfonyl - 5 - (trifluoromethyl)aniline is shipped in accordance with strict chemical transport regulations. Packed securely in suitable containers, it's transported to ensure safety during transit.
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4-cyano-2-iodo-n-methylsulfonyl-5-(trifluoromethyl)aniline 4-cyano-2-iodo-n-methylsulfonyl-5-(trifluoromethyl)aniline 4-cyano-2-iodo-n-methylsulfonyl-5-(trifluoromethyl)aniline
General Information
Frequently Asked Questions
What are the chemical properties of 4-cyano-2-iodo-n-methylsulfonyl-5- (trifluoromethyl) aniline?
4-Cyano-2-iodine-N-methylsulfonyl-5- (trifluoromethyl) aniline is an organic compound. Looking at its structure, cyano, iodine atom, methyl sulfonyl and trifluoromethyl each occupy a specific position, which has a significant impact on its chemical properties.
Cyanyl (-CN) has strong electron absorption, which can reduce the electron cloud density of the benzene ring, making the benzene ring more prone to electrophilic substitution. Under certain conditions, cyanyl can participate in many reactions, such as hydrolysis to form carboxyl groups, or reduction to amino groups.
Iodine atom (-I), although a halogen atom, has a high activity due to its large atomic radius and relatively small C-I bond energy. In nucleophilic substitution reactions, iodine atoms are easily replaced by other nucleophiles, and are often used as leaving groups in organic synthesis, providing the possibility for the construction of new carbon-carbon bonds or carbon-hetero bonds.
N-methylsulfonyl (-SO 2O NHCH), sulfonyl groups are strong electron-absorbing groups, which can enhance the polarity of molecules, and nitrogen atoms in this group can participate in the formation of hydrogen bonds, which affect the physical properties of compounds such as solubility, melting point, boiling point, etc. At the same time, it can stabilize neighboring carbon positive ions, which has an effect on reactivity and selectivity.
Trifluoromethyl (-CF <), which has strong electron-withdrawing properties, significantly changes the electron cloud distribution of the benzene ring, so that the electron cloud density of the adjacent and para-site on the benzene ring decreases more than the meta-site, so the electrophilic substitution reaction is more likely to occur in the meta-site. And the introduction of trifluoromethyl can improve the lipid solubility and stability of compounds. In the field of medicinal chemistry, it is often used to improve the pharmacokinetic properties of drug molecules.
This compound exhibits unique chemical properties due to the synergistic effect of these functional groups, and may have potential application value in organic synthesis, drug development and other fields.
What are the main uses of 4-cyano-2-iodo-n-methylsulfonyl-5- (trifluoromethyl) aniline?
4-Cyano-2-iodine-N-methylsulfonyl-5 - (trifluoromethyl) aniline is an important chemical substance in the field of organic synthesis and has significant uses in many fields.
In the field of medicinal chemistry, it plays a crucial role. It can be used as a key intermediate to construct drug molecular structures with specific biological activities. Due to its unique chemical structure, specific functional groups such as cyano, iodine atom, methylsulfonyl and trifluoromethyl give molecules unique physical and chemical properties. These functional groups can interact with specific targets in organisms, thus exhibiting potential pharmacological activity. For example, the introduction of iodine atoms can change the electron cloud distribution of molecules and affect their ability to bind to receptors; the strong electron absorption of trifluoromethyl can enhance the lipid solubility of molecules, which is conducive to drug penetration through biofilms and improved bioavailability. Therefore, it is often used to develop new antibacterial, antiviral, anti-tumor and other drugs.
In the field of materials science, it also has value that cannot be ignored. It can be used to synthesize functional materials with special properties. Due to the existence of special functional groups in its structure, it can endow materials with unique electrical, optical or thermal properties. For example, through chemical modification, it can be introduced into the main chain or side chain of polymer materials to prepare polymers with specific optoelectronic properties, which can be used in organic Light Emitting Diode (OLED), solar cells and other optoelectronic devices to improve the performance and efficiency of the device.
In addition, in the field of pesticide chemistry, 4-cyano-2-iodine-N-methylsulfonyl-5 - (trifluoromethyl) aniline is also used. It can be used as an important raw material for the synthesis of new pesticides. With its special structure, it exhibits certain biological activity against pests, and can be used to develop high-efficiency, low-toxicity and environmentally friendly pesticide varieties to help agricultural pest control and ensure the yield and quality of crops.
Overall, 4-cyano-2-iodine-N-methylsulfonyl-5 - (trifluoromethyl) aniline, due to its unique chemical structure, occupies an important position in many fields such as medicinal chemistry, materials science, and pesticide chemistry, and is of great significance to promote the development of various fields.
What is the synthesis method of 4-cyano-2-iodo-n-methylsulfonyl-5- (trifluoromethyl) aniline
The synthesis of 4-cyano-2-iodine-N-methylsulfonyl-5- (trifluoromethyl) aniline is an important topic in organic synthetic chemistry. To prepare this compound, a multi-step reaction is often followed.
The first step is to select an appropriate starting material, such as an aniline derivative containing trifluoromethyl. With such aniline derivatives as the base, iodine atoms can be introduced by electrophilic substitution reaction. This step requires the selection of suitable iodine substitution reagents, such as iodine elemental substance and appropriate oxidant, such as hydrogen peroxide or nitric acid, under suitable solvents and reaction conditions. The reaction temperature, time and the proportion of reactants need to be precisely controlled in order to selectively introduce iodine atoms to the target position to obtain 2-iodine-substituted aniline derivatives.
The cyanide group is introduced in the second step. This process is often reacted by the reaction of halides with cyanide reagents. For example, 2-iodine-substituted aniline derivatives react with cyanide reagents such as cuprous cyanide in an organic solvent under heating and the presence of a catalyst. Catalysts such as palladium catalysts or nickel catalysts can promote the reaction of cyano-substituted iodine atoms to obtain aniline derivatives containing cyanide groups and iodine.
Furthermore, N-methylsulfonyl groups are introduced. In this step, the above product can be reacted with methyl sulfonyl chloride in the presence of a base. The function of the base is to neutralize the acid generated by the reaction and promote the forward progress of the reaction. Commonly used bases such as triethylamine and pyridine can be successfully connected to the nitrogen atom at a suitable temperature and solvent environment, and the final product is 4-cyano-2-iodine-N-methylsulfonyl-5 - (trifluoromethyl) aniline. After each step of the reaction, delicate separation and purification operations, such as column chromatography and recrystallization, are required to remove impurities such as unreacted raw materials and by-products to ensure the purity and yield of the product. This is the key to synthesizing this compound.
What is the price of 4-cyano-2-iodo-n-methylsulfonyl-5- (trifluoromethyl) aniline in the market?
The question today is what the market price of 4-cyano-2-iodine-N-methylsulfonyl-5 - (trifluoromethyl) aniline is. However, this chemical is not commonly available, and its price varies widely for a variety of reasons.
First, it is related to the difficulty of its preparation. If the preparation method is complicated, many delicate steps and rare raw materials are required, and the price must be high. Second, the situation of supply and demand is also critical. If there is a lot of demand but less supply, the price will increase; conversely, if the supply exceeds the demand, the price may drop. Third, the purity involved also affects the price. For high purity, the preparation is more difficult and the price will be higher.
However, in the era of "Tiangong Kaiwu", there were no such fine chemicals, and there was no relevant price to test. Now to know the exact price, you need to search on the professional chemical raw material trading platform, or consult the merchants specializing in such chemicals. Different merchants and different periods, the price may be different. Or it can vary depending on the quantity, and there may be discounts for bulk purchases. Therefore, it is difficult to say the exact price at the moment, and it must be checked and compared by many parties to get a more accurate number.
What are the storage conditions for 4-cyano-2-iodo-n-methylsulfonyl-5- (trifluoromethyl) aniline?
4-Cyano-2-iodine-N-methylsulfonyl-5 - (trifluoromethyl) aniline, this is an organic compound. Its storage conditions are crucial, related to the stability and quality of the substance.
Bear the brunt, need to find a cool and dry place. This is because the compound may be afraid of heat and humidity. In the environment of extreme heat, it is easy to increase the molecular activity of the compound, causing disasters such as decomposition and deterioration. Humid gas may also promote reactions such as hydrolysis, which may damage its structure and properties.
Furthermore, be sure to ensure that the storage place is well ventilated. Good ventilation can disperse harmful gases that may evaporate, avoid risks such as explosion and poisoning caused by gas accumulation, and ensure the safety of the storage environment.
And the compound may be sensitive to light, so it should be stored in a dark place. The container can be wrapped in a brown bottle or a light-shielding material to prevent photochemical reactions caused by light, causing it to decompose or change its properties.
At the same time, the choice of storage container should not be ignored. Containers with good corrosion resistance and sealing should be selected. In view of their chemical properties, ordinary materials or reactions with them affect the purity of the compound, and good sealing can prevent the intrusion of air, water vapor, etc.
In addition, it needs to be stored separately from oxidants, acids, bases and other substances. Due to the characteristics of its chemical structure, contact with these substances is prone to violent chemical reactions, causing danger.
During daily storage, it is necessary to check its status regularly. If there is any abnormality in appearance, smell, etc., it should be dealt with immediately to prevent the harm from expanding. In this way, 4-cyano-2-iodine-N-methylsulfonyl-5 - (trifluoromethyl) aniline can be properly stored to ensure its quality and safety.