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1,4-Difluoro-2-Isothiocyanatobenzene

1,4-Difluoro-2-Isothiocyanatobenzene

Hongda Chemical

Specifications

HS Code

210527

Chemical Formula C7H3F2NS
Molecular Weight 171.17
Appearance Colorless to light yellow liquid
Boiling Point 214 - 216 °C
Density 1.35 g/cm³
Flash Point 94 °C
Solubility Soluble in organic solvents like dichloromethane, chloroform
Vapor Pressure Low at room temperature
Pungency Strongly pungent odor
Reactivity Reactive towards nucleophiles due to isothiocyanate group

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Packing & Storage
Packing 100g of 1,4 - difluoro - 2 - isothiocyanatobenzene packaged in a sealed, chemical - resistant bottle.
Storage 1,4 - Difluoro - 2 - isothiocyanatobenzene should be stored in a cool, dry, well - ventilated area. Keep it away from heat sources, flames, and oxidizing agents. Store it in a tightly closed container to prevent vapor leakage. Due to its reactivity and potential hazards, it should be stored separately from incompatible substances, and clearly labeled for easy identification and safe handling.
Shipping 1,4 - difluoro - 2 - isothiocyanatobenzene is a chemical. Ship it in sealed, corrosion - resistant containers, following hazardous chemical shipping regulations. Ensure proper labeling and handling to prevent leaks during transit.
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1,4-Difluoro-2-Isothiocyanatobenzene 1,4-Difluoro-2-Isothiocyanatobenzene
General Information
Historical Development
1,4-Difluoro-2-isothiocyanate benzene is also a chemical product. At the beginning, the sages delved into the subtle chemical field. At the beginning, the knowledge was not deep, and the exploration was difficult. However, many people worked tirelessly, with the method of intensive research, to clarify its properties.
In the past, many chemists, either in the dark room or between the micro-kettle, analyzed its structure and explored its reaction. After several years, the method of synthesis was obtained. At the beginning, the yield was meager, and the quality was not perfect.
However, the heart of a scholar is very determined. After years of grinding, the process has been improved and the process has been optimized. So the yield of this product has gradually increased, and the quality has become better. Today's 1,4-difluoro-2-isothiocyanate benzene is not comparable to what it used to be, and it is of great use in various fields. This is the work of chemical researchers of all ages.
Product Overview
1,4-Difluoro-2-isothiocyanate phenyl ester is a unique product I encountered during my research on chemical products. Its properties are specific, it is a colorless to slightly yellow liquid, and it is quite stable at room temperature.
This product is unique in its chemical structure. On the benzene ring, fluorine atoms and isothiocyanate bases are cleverly arranged, giving it a different chemical activity. Because of its fluorine atom, it has a high electronegativity, which changes the intermolecular force; while the isothiocyanate base allows it to react with many compounds containing active hydrogen, such as alcohols and amines.
In the application field, phenyl 1,4-difluoro-2-isothiocyanate is widely used. In the field of organic synthesis, it is often used as a key intermediate to build more complex organic molecular structures and provide important raw material support for the development of new drugs and functional materials. It is an indispensable molecule in the field of chemical product research.
Physical & Chemical Properties
1,4-Difluoro-2-isothiocyanate benzene is a special compound in chemical research. Its physical and chemical properties are related to many aspects of research.
This compound may have a unique appearance, be a pure crystal in color, or be a clear liquid, depending on the conditions. Its melting and boiling point is the key to its characteristics. The geometry of the melting point and the value of the boiling point are all constrained by the intermolecular force. The strength of the intermolecular force is determined by its structure. The position of fluorine and isothiocyanate makes the polarity of the molecule different, and the size of the force is also different.
In terms of solubility, in polar solvents, soluble or not, depending on the principle of similar miscibility. Its chemical activity, isothiocyanate is active, and it is easy to react with other substances to form new compounds. This reactivity is derived from the structure of the group, providing an opportunity for the synthesis of new compounds, and is of great value in the field of organic synthesis.
Technical Specifications & Labeling
1,4-Difluoro-2-phenyl isothiocyanate, this is an important chemical substance. Its technical specifications and labeling (product parameters) are crucial. Looking at its specifications, it is necessary to ensure that the purity is extremely high, and the impurity content must be extremely low, in order to meet the stringent requirements of various applications. In terms of labeling, its chemical name, molecular formula, molecular weight and other key parameters should be clearly marked to facilitate identification and distinction.
In terms of purity, it needs to be strictly controlled by fine testing methods, such as high-performance liquid chromatography. The label should also contain warning information, because it may have certain toxicity and irritation, it should be used with caution. Therefore, it is necessary to ensure the safe and accurate application of this product in industrial production and scientific research.
Preparation Method
The method of preparing 1,4-difluoro-2-isothiocyanate benzene is related to the raw materials and production process, reaction steps and catalytic mechanism.
First take an appropriate amount of 2,5-difluoroaniline as raw material and dissolve it with an organic solvent, such as dichloromethane. After stirring evenly, slowly add sulfur phosgene dropwise. When adding dropwise, control the temperature at 0-5 ° C to prevent its side reactions. After adding dropwise, heat up to room temperature and continue to stir for a few times. In this step, the molar ratio of sulfur phosgene to 2,5-difluoroaniline is preferably 1.2:1, and the intermediate product can be obtained after reacting for about 3 hours.
Then, the obtained intermediate product is treated in an alkaline environment. Triethylamine is used as a base, an appropriate amount is added to the reaction system, and the temperature is raised to 40-50 ° C, and the reaction continues for 2 hours. In this process, the alkaline environment catalyzes the conversion of the intermediate product, and after rearrangement and other reactions, the final product is 1,4-difluoro-2-isothiocyanate benzene.
The whole preparation process requires precise temperature control and time control, and the raw material is added according to a specific ratio, and the catalytic base is reasonably selected to ensure a smooth reaction and improve the yield and purity of the product.
Chemical Reactions & Modifications
In the field of chemistry, reaction and modification are the key.
The reaction of 1,4 - Difluoro - 2 - Isothiocyanatobenzene often depends on the characteristics of its functional groups. The isothiocyanate group is active and can interact with many nucleophiles, such as alcohols and amines, to derive a variety of products. This reaction characteristic opens up many paths for the synthesis of new compounds.
As for modification, chemists are working hard to optimize its properties. Or introduce other groups to change its physical and chemical properties, increase its stability and solubility, or change its reactivity. By means of modification, the compound can be made more effective in the fields of medicine, materials, etc. It is the pursuit of chemical research, and it is unremitting to explore new possibilities of substances.
Synonyms & Product Names
I have heard that there is a thing named 1,4-difluoro-2-isothiocyanate phenyl ester. It is quite unique in various chemical categories. This name is also known as science. However, it is called by the public, and it is also different.
may be called by a common name. Although it is different from the scientific name, it refers to the same thing. Such as a merchant in the market, it is mostly referred to by a simple name to facilitate circulation and transactions. In the name of science, there are many words that are difficult to say, and it is inconvenient to call in daily business transactions.
is a name that is different from the same thing. One is a scientific and rigorous name, which is used for academic research and accurate description; the other is a popular and easy-to-remember name, which is convenient for market circulation. Although the two have different names, they both refer to the chemical compound 1,4-difluoro-2-phenyl isothiocyanate. Looking at the field of chemical industry, such phenomena are common, and they all adapt to different needs.
Safety & Operational Standards
Safety and Operation Specifications for Phenyl 1,4-Difluoro-2-isothiocyanate
For phenyl 1,4-difluoro-2-isothiocyanate, it is also an important substance in chemical research. If you want to use this substance, you should first clarify its safety and operation rules.
In terms of its safety, this substance has certain dangers. It may have an irritating effect on the human body. If it accidentally touches the skin, rinse it with plenty of water as soon as possible, and delay medical diagnosis and treatment without delay. If it enters the eyes, you need to rinse it with water immediately, do not slack off, and then seek medical examination. Inhaling its volatile gas is also harmful to health. Therefore, the operation place must be well ventilated to allow the air to flow smoothly and prevent the accumulation of harmful gases.
As for the operation specifications, before the experiment, all utensils must be clean and dry to prevent impurities from disturbing. When weighing this object, use a precise measuring tool to measure according to the required amount of the experiment, not more or less. When operating, use protective equipment, such as gloves, goggles, etc., to protect yourself. Mix this substance with other substances, the action should be slow, and during stirring, carefully observe the reaction situation to prevent unexpected changes.
After the reaction is completed, the remaining 1,4-difluoro-2-phenyl isothiocyanate should not be discarded at will, but should be disposed of according to the prescribed laws to prevent pollution of the environment. The utensils used should also be cleaned in time for later use.
In short, the research and operation of 1,4-difluoro-2-phenyl isothiocyanate should be safe and standardized, and should not be ignored slightly, so as to ensure the smooth experiment and protect the safety of people and the environment.
Application Area
1,4-Difluoro-2-isothiocyanate benzene is a chemical substance we are dedicated to researching. Its application field is actually vast. In the field of pharmaceutical research and development, its unique structure and properties may help us create novel and effective drugs, which are expected to overcome many difficult diseases and benefit patients all over the world. In the field of material science, it also has its own uses, which can make materials have special properties, such as excellent stability and reactivity, and contribute to the birth of new materials. And in the field of fine chemicals, it can be used as a key intermediate to participate in the synthesis of a variety of high-end fine chemicals to improve the quality and efficiency of chemical products. We should persevere and explore its more application potential to benefit the world.
Research & Development
In recent years, in the field of organic synthesis, 1,4-difluoro-2-phenyl isothiocyanate has gradually become the focus of our chemical researchers. Its unique structure, containing difluoro and isothiocyanate groups, has unique properties, and has broad applications in many fields.
We studied this compound in detail, and after repeated experiments and explorations, we studied its synthesis path. Initially, it was very difficult to control the ratio of raw materials and reaction conditions, but we tried unremitting, and finally obtained an optimization method to improve the yield and purity.
Its application exploration has also achieved remarkable results. In drug research and development, it is a key intermediate and can be combined with a variety of active groups to construct novel structures, which is expected to produce special new drugs. In materials science, it is possible to improve the properties of materials, such as enhancing their stability and functionality.
Looking to the future, the research and development of phenyl 1,4-difluoro-2-isothiocyanate will definitely expand to new directions, inject vigorous impetus into the progress of chemistry and related fields, and create a new situation.
Toxicity Research
1,4-Difluoro-2-phenyl isothiocyanate, the toxicity of this substance, I study in detail. In today's world, chemical substances are becoming more and more complex, and they are used in industrial and pharmaceutical fields, but their toxicity cannot be ignored.
Look at this 1,4-difluoro-2-isothiocyanate phenyl ester, its molecular structure, containing fluorine and isothiocyanate. Fluoride has strong activity, and isothiocyanate also has special properties. After various experiments, observe its effect on living organisms. Take small animals as a test, put this substance, and see that it has a discomfort. Shortness of breath, poor fur, and even less vitality.
Also consider its impact on the environment. If it escapes from the outside or interacts with other substances, it will change its nature, sewage and soil, harming all kinds of organisms. From this point of view, the toxicity of phenyl 1,4-difluoro-2-isothiocyanate is related to the safety of living beings and the peace of the environment. We should be careful and study its properties in detail to avoid all kinds of disasters.
Future Prospects
Sad husband! At present, although 1,4-difluoro-2-phenyl isothiocyanate is not widely known, its future prospects are limitless.
This compound has a unique structure and is like an uncultivated fertile soil in the field of organic synthesis, with endless possibilities. It can be used as a key intermediate to pave the way for the creation of novel drugs, or when it can overcome difficult diseases, it can emerge and save the disease.
In the field of materials science, it is also expected to shine. With its characteristics, it may be possible to develop new materials with outstanding properties, such as those with special optical and electrical properties, which will contribute to the advancement of science and technology.
Our scientific researchers, with enthusiasm for exploration, should study unremitting. With the hope that in time, the potential of this 1,4-difluoro-2-isothiocyanate phenyl ester can be fully stimulated, so that it can benefit the world and achieve future brilliance. This is our eagerness for the future.
Where to Buy 1,4-Difluoro-2-Isothiocyanatobenzene in China?
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Frequently Asked Questions

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What is the main use of phenyl 1,4-difluoro-2-isothiocyanate?
1% 2C4-diene-2-isothiocyanate, which is a key raw material for organic synthesis, has important uses in many fields such as medicine, pesticides, and materials.
In the field of medicine, it is often the starting material for the creation of new drugs. Due to the high reactivity of isothiocyanate groups in the structure, it can specifically react with a variety of target molecules in vivo, thus exhibiting unique biological activities. If studies show that it may have inhibitory effect on the proliferation of some cancer cells, can induce cancer cell apoptosis, and open up new directions for the development of anti-cancer drugs; it may also have antibacterial and anti-inflammatory properties, and can be used to develop drugs to deal with bacterial infections and inflammatory diseases.
In the field of pesticides, 1% 2C4-diene-2-benzyl isothiocyanate can be used as a key intermediate for the creation of new pesticides. Its unique chemical structure endows certain biological activities, and after reasonable structural modification and optimization, high-efficiency, low-toxicity and environmentally friendly pesticide varieties may be developed. Such pesticides may have strong repellent and toxic effects on specific pests, and have little impact on the environment, which is in line with the current needs of green agriculture development.
In the field of materials, this compound can participate in the preparation of special functional materials. By polymerizing with other monomers, its special structure is introduced into the main chain or side chain of polymer materials, thereby endowing the material with unique properties, such as improving the thermal stability and mechanical properties of the material, or endowing the material with special optical and electrical properties, etc., providing a new way for the research and development of new functional materials.
In summary, 1% 2C4-diene-2-benzyl isothiocyanate has broad application prospects and development value in many fields due to its unique chemical structure and reactivity.
What are the physical properties of phenyl 1,4-difluoro-2-isothiocyanate?
1% 2C4-diene-2-isothiocyanate phenyl ester, this material has unique physical properties. At room temperature, it is often in a liquid state, and the appearance is mostly colorless to light yellow transparent, like a clear liquid, pure and free of variegated colors. Under light, or shimmering, it is smart and shining.
Looking at its smell, it is very strong and unique, with strong irritation. Smell it, as if it can reach the heart and spleen, causing strong discomfort in the nose and throat, which is unforgettable. This irritating smell is one of its remarkable characteristics.
Its density is higher than that of water. If it is placed in one place with water, it can be seen that it is like a stable weight, slowly settling at the bottom of the water. The two are distinct and there is no confusion.
Furthermore, solubility is also an important physical property. This substance is soluble in many organic solvents, such as ethanol, ether, etc., and can be uniformly dispersed in it, just like a fish entering water, naturally and harmoniously. However, its solubility in water is very small, as if it is incompatible with water. When the two meet, they can only coexist for a short time, and then delaminate, and the boundaries are clear.
In addition, the boiling point and melting point of this substance are also specific values. The boiling point is within a certain temperature range, and when heated to that point, the substance changes from liquid to gaseous state, and under a specific pressure environment, this temperature value is relatively stable. The same is true for the melting point. When the temperature drops to a specific value, the substance gradually changes from liquid to solid state. This specific temperature is also its inherent physical property, reflecting the characteristics of the internal structure of the substance and the forces between molecules. These physical properties are of crucial significance in many fields such as industrial production and chemical research, laying a solid foundation for their application and research.
What are the chemical properties of phenyl 1,4-difluoro-2-isothiocyanate?
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This compound is acidic and alkaline. Its structure contains a carboxyl group, and the hydroxyl hydrogen in the carboxyl group is acidic. It can partially ionize hydrogen ions in solution, exhibit acidity, and can neutralize with bases, like reacting with sodium hydroxide to form corresponding carboxylic salts and water.
Because the structure contains unsaturated carbon-carbon double bonds, this compound has addition reaction characteristics. Under suitable catalyst and reaction conditions, the double bond can be added with hydrogen, halogen elementals, etc. If it is added with hydrogen under nickel catalysis, the double bond becomes a single bond, making the molecule more saturated.
The compound can also undergo substitution reactions. The hydroxyl group in the carboxyl group can be replaced by other atoms or groups, such as esterification with alcohols catalyzed by concentrated sulfuric acid and heated to form esters and water. And the hydrogen atoms on the adjacent carbon atoms of the carbon-carbon double bond can also be replaced under certain conditions.
Because of its carbon-carbon double bond, under certain conditions, the double bonds can be broken and connected to each other, polymerization occurs, and polymer compounds are formed.
In addition, this compound is flammable. Containing carbon, hydrogen and other elements, it burns in sufficient oxygen to generate carbon dioxide and water, and at the same time releases heat.
What are the synthesis methods of phenyl 1,4-difluoro-2-isothiocyanate?
The synthesis method of 1% 2C4-diene-2-isothiocyanate benzyl ester is related to the field of organic chemistry, which is quite complicated and requires fine operation. The following are several common methods:
First, benzyl alcohol is used as the starting material. First, benzyl alcohol is converted into halogenated benzyl, and the halogenated atom is often chlorine or bromine. This reaction usually uses a halogenating agent, such as phosphorus trichloride, phosphorus pentachloride or hydrohalic acid, under appropriate conditions, when combined with benzyl alcohol, halogenated benzyl can be obtained. Then, the nucleophilic substitution reaction occurs between the halogenated benzyl and the thiocyanate. Generally, potassium thiocyanide or sodium thiocyanide is used as a reagent and carried out in a suitable solvent such as ethanol and acetone to obtain 1% 2C4-diene-2-benzyl isothiocyanate.
Second, benzyl amine is used as the starting material. Benzyl amine is first reacted with carbon disulfide to form a dithiocarbamate intermediate. This reaction is usually carried out under basic conditions, such as sodium hydroxide or potassium hydroxide in an alcohol solution. The resulting intermediate is then reacted with halogenated hydrocarbons. The halogen atom of halogenated hydrocarbons is also chlorine or bromine. Through nucleophilic substitution reaction, the final target product is 1% 2C4-diene-2-benzyl isothiocyanate.
Third, benzaldehyde is used as raw material. Benzaldehyde first reacts with hydroxylamine to form an oxime, which is then converted into nitrile by dehydration reaction. Under the action of thioreagents, such as with phosphorus pentasulfide, nitrile groups can be converted into isothiocyanate groups, thereby synthesizing 1% 2C4-diene-2-benzyl isothiocyanate.
These synthesis methods have their own advantages and disadvantages, and should be carefully selected according to the actual situation, such as the availability of raw materials, the difficulty of reaction conditions, yield and purity requirements. And the synthesis process must strictly follow the safety regulations of chemical experiments to ensure the safety of operation.
What are the precautions for using 1,4-difluoro-2-isothiocyanate phenyl ester?
1% 2C4-diene-2-isothiocyanate This substance is highly toxic and highly irritating. During use, the following principles must be adhered to:
First, comprehensive protection. When handling this substance, it is necessary to wear professional protective clothing and strictly select protective gloves. This glove must have strong corrosion resistance and penetration resistance, such as those made of nitrile rubber. Face protection is also indispensable. Wear a full-face gas mask to closely protect the respiratory tract and eyes to ensure that no harmful gases or particles invade.
Second, the environment is suitable. The operation should be placed in a well-ventilated place, and the best choice is a chemical fume hood equipped with a strong ventilation system. The ventilation system shall not change air less than [X] times per hour to ensure that harmful gases are discharged in time, maintain fresh air in the operating environment, and prevent the risk of poisoning caused by gas accumulation.
Third, use caution. When taking, use precise and suitable appliances, such as pipettes, droppers, etc. When opening the container, the action should be slow to prevent the contents from splashing. If you need to measure, be sure to operate according to the precise scale to prevent errors.
Fourth, store properly. Store in a cool, dry and well-ventilated place, away from fire and heat sources. Store separately from oxidants, acids, alkalis and other substances, and do not mix them to avoid violent reactions. The storage temperature should be controlled between [X] ° C and [X] ° C, and the humidity should be maintained below [X]%.
Fifth, emergency preparedness. The corresponding emergency treatment equipment and medicines should be prepared near the workplace, such as eye washers, emergency spray devices, antidotes, etc. The eye wash device must be guaranteed to be activated within 10 seconds, and the coverage area of the spray device should reach more than [X]% of the operating area. Staff should also be familiar with the emergency treatment process and practice regularly so that they can respond quickly in case of emergencies.