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4-Fluoroisothiocyanatobenzene

4-Fluoroisothiocyanatobenzene

Hongda Chemical

Specifications

HS Code

686775

Chemical Formula C7H4FNS
Molecular Weight 153.18
Appearance Liquid
Color Colorless to light yellow
Boiling Point 212 - 214 °C
Density 1.23 g/cm³
Solubility In Water Insoluble
Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform
Vapor Pressure Low
Flash Point 92 °C
Odor Pungent

As an accredited 4-Fluoroisothiocyanatobenzene factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

Packing & Storage
Packing 500g of 4 - fluoroisothiocyanatobenzene packaged in a sealed, chemical - resistant bottle.
Storage 4 - Fluoroisothiocyanatobenzene should be stored in a cool, dry, well - ventilated area away from heat sources, ignition sources, and moisture. Keep it in a tightly - sealed container to prevent leakage and exposure to air, which could lead to decomposition or reaction. Store it separately from incompatible substances like strong oxidizing agents, bases, and nucleophiles to avoid hazardous reactions.
Shipping 4 - Fluoroisothiocyanatobenzene is shipped in specialized, well - sealed containers. It follows strict hazardous chemical shipping regulations to ensure safety during transit, protecting handlers and the environment from potential harm.
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4-Fluoroisothiocyanatobenzene 4-Fluoroisothiocyanatobenzene
General Information
Historical Development
4 - Fluoroisothiocyanatobenzene is a special compound in organic chemistry. Its origin can be traced back to the early days of chemical research. At that time, many chemists explored the synthesis and properties of various compounds.
In the early days, due to limited analytical techniques, the understanding of 4 - Fluoroisothiocyanatobenzene was rather shallow. However, with the evolution of science and technology, spectral analysis and chemical synthesis methods were improved, and researchers gradually understood its structure and reaction characteristics.
In the past few decades, scientists have repeatedly tried to optimize its synthesis path and improve its yield and purity. This compound has emerged in the fields of medicine and materials science, becoming a key intermediate for the development of new drugs and special materials. Its historical development has witnessed the continuous breakthrough and refinement of chemical disciplines, laying a solid foundation for subsequent research.
Product Overview
4 - Fluoroisothiocyanatobenzene, the organic compound is also. It is a colorless to light yellow liquid with a special odor. This compound contains fluorine atoms and phenyl isothiocyanate groups, and has a unique structure.
Its preparation method, or from a specific reaction path, is obtained by multi-step reaction. During the reaction, precise temperature control, selection of reagents and conditions are required to achieve higher yield and purity.
It has a wide range of uses. In the field of medicinal chemistry, it can be used as a key intermediate in the synthesis of specific drugs to help form unique active drug molecules. In the field of materials science, it can also be used as a raw material for the preparation of special performance materials to give new properties to materials.
However, it is toxic and irritating to a certain extent. When using it, strict safety procedures must be followed and proper protection must be taken to avoid harming people and the environment.
Physical & Chemical Properties
4 - Fluoroisothiocyanatobenzene is an organic compound with unique physical and chemical properties. In terms of physical properties, it is mostly liquid at room temperature, has a certain volatility, and can volatilize a special odor. This substance has a lower density than water, floats in the upper layer in water, and is difficult to dissolve in water, but it is easily soluble in organic solvents, such as ethanol, ether, etc. Due to the principle of similar miscibility, organic solvents are structurally similar to this compound.
From a chemical point of view, it contains isothiocyanate ester group (-NCS), and its chemical activity is quite high. It can react with compounds containing active hydrogen, such as alcohols and amines. When it encounters alcohols, it can generate corresponding thiocarbamates; when it reacts with amines, thioureas are formed. In addition, although the fluorine atom on the benzene ring is relatively stable, it may also participate in the reaction under certain conditions, such as strong alkaline environment and high temperature, which affects the chemical properties and reactivity of the compound.
Technical Specifications & Labeling
4-Phenyl fluoroisothiocyanate is an important category of chemical research. Its technical specifications and identification (product parameters) are related to quality and application.
The preparation of this product requires specific procedures. The raw materials are well selected, the reaction conditions are carefully controlled, and the temperature, duration, and material ratio are all key. For example, in a reactor, the materials are fused in precise proportions to catalyze the reaction at a suitable temperature to ensure complete conversion.
In terms of identification, the product parameters are detailed. Contains purity indicators, reaching a very high level, and the impurity content is fine to ensure stable performance. The appearance and shape are also fixed, and the color is normal and pure. And on the packaging, the parameters are clearly marked for the user to identify, in order to meet the rigorous requirements of research and application, so as to fully demonstrate its unique performance in various fields.
Preparation Method
4-Fluoroisothiocyanatobenzene is an important compound in organic synthesis. The preparation method and the selection of raw materials are very critical. P-fluoroaniline is often used as the starting material, because it contains active amino groups, which is conducive to subsequent reactions.
Preparation process is as follows: First react p-fluoroaniline with sulfur phosgene in a suitable solvent. The solvent is preferably dichloromethane, because it has good solubility and stable properties to the reactants. During the reaction, the temperature is controlled at a low temperature, about 0-5 ° C. This is because the reaction is exothermic and low temperature is conducive to the smooth progress of the reaction.
Reaction step: Slowly drop p-fluoroaniline into the dichloromethane solution containing sulfur phosgene, and stir at the same time to make the reaction sufficient. After the dropwise addition is completed, the reaction is heated to room temperature for a period of time to ensure the complete reaction.
Catalytic mechanism: In this reaction, the carbonyl group of sulfur phosgene is electrophilic, and the nitrogen atom of the p-fluoroaniline amino group is nucleophilic, and the two undergo nucleophilic substitution. The reaction generates an intermediate, and after subsequent elimination steps, the final product is 4-Fluoroisothiocyanatobenzene. This process can effectively prepare the compound and lay the foundation for its application in the field of organic synthesis.
Chemical Reactions & Modifications
Modern chemistry has advanced, and many new substances have been created. Jin Yan 4 - Fluoroisothiocyanatobenzene This substance, its chemical reaction and modification are worthy of in-depth study.
Looking at its reaction, it can combine with various reagents under suitable temperature and pressure and catalyst existence. If it encounters an amine, the amine group nucleophilic attacks the isothiocyanate group to form a new nitrogen-containing compound, in which the electron cloud is rearranged, the bond is broken and formed in an orderly manner, and the reaction path can be followed.
On its modification, its physicochemical properties can be adjusted by means of substitution and addition. Introducing a group at the ortho-position of the benzene ring may change its polarity, and then change its solubility and reactivity. Make the chemical properties meet the diverse needs, and serve as the basis for the synthesis of special functional materials and drug precursors, with far-reaching benefits.
Synonyms & Product Names
Today, there is a product called 4-Fluoroisothiocyanatobenzene. This is a chemical product with a wide range of uses in the industry. Its synonymous name is also known as fluorobenzene isothiocyanate. This product plays a significant role in various chemical processes, either as a reaction raw material or as an intermediate product, helping to generate many products. Its trade name is also circulated in the market, and it is well known in the industry to distinguish its quality and use. Although the names are different, they refer to this thing. In the process of chemical research, scholars should know its synonymous name and commodity name in detail, so that it can be used freely in practice and research, and the chemical industry can make smooth progress and fruitful results.
Safety & Operational Standards
4 - Fluoroisothiocyanatobenzene is an important chemical. During its preparation and use, safety and operating standards are of paramount importance.
When preparing this chemical, it needs to be carried out in a well-ventilated environment. Due to the irritation and toxicity of the substance, the operator must wear suitable protective equipment, such as gas masks, protective gloves and goggles, to prevent inhalation, contact with the skin or splashing into the eyes.
The operation process must also strictly follow the established specifications. The weighing and mixing of materials must be accurate, and the reaction temperature and time should be strictly controlled. If the reaction process is heated, suitable heating equipment must be used and temperature changes must be closely monitored to prevent the reaction from getting out of control.
For storage, 4-Fluoroisothiocyanatobenzene should be stored in a cool, dry and ventilated place, away from fire and oxidants. Storage containers must be well sealed to prevent leakage.
In the event of a leak, the surrounding personnel should be evacuated quickly and evacuated to a safe area. Handlers should wear professional protective clothing, cut off the fire source first, and then collect it with suitable adsorption materials to avoid the spread of leaks into the environment. In case of accidental contact with skin or eyes, rinse with plenty of water immediately and seek medical attention in a timely manner.
Only by strictly observing safety and operating practices can 4-Fluoroisothiocyanatobenzene related work be carried out safely and orderly, avoid accidents, and ensure the safety of personnel and the environment is not damaged.
Application Area
4 - Fluoroisothiocyanatobenzene is an important chemical substance with a wide range of application fields. In the field of pharmaceutical research and development, it can be used as a key intermediate to help synthesize drugs with special curative effects. Through its unique chemical structure, it can interact with specific targets in organisms, or it can develop innovative drugs for the treatment of difficult diseases. In the field of materials science, based on this substance, functional materials with special properties can be created. For example, in the field of optoelectronic device materials, its participation in the synthesis of new materials or excellent optical and electrical properties can contribute to the development of optoelectronic devices. In the field of organic synthetic chemistry, 4 - Fluoroisothiocyanatobenzene is often an important starting material for building complex organic molecular structures. With its special functional groups, it can trigger a variety of chemical reactions, expand the types and properties of organic compounds, and promote the continuous development of organic synthetic chemistry.
Research & Development
In recent years, I have been in the field of chemistry, focusing on the research of 4 - Fluoroisothiocyanatobenzene this substance. At the beginning, if I want to make this agent, I have encountered many thorns. The choice of raw materials, the essence of the ratio, and the temperature of the reaction all need to be studied in detail. After months of trial, a good method can be obtained.
This agent has great potential in pharmaceutical research and development. It can be used as an intermediate, a special drug, and a cure for difficult diseases. On the industrial level, it can also optimize the process and increase the quality of the product.
However, its development path still has obstacles. Safety control and cost reduction are all questions to be solved. I should continue to study, to break the difficulties, to promote its wide use, for the progress of chemistry, to contribute to the modest power, so that this agent in the industry, benefit to the world.
Toxicity Research
The toxicity of 4 - Fluoroisothiocyanatobenzene is studied today, and this substance gradually shows its characteristics in experiments. After repeated trials, it is observed that it touches various objects. Its smell is slightly pungent, and it feels uncomfortable when entering the body. It seems to disturb the flow of qi and blood.
Try it with all kinds of creatures, see small animals eating or smelling it, and gradually become tired, slow to move, even weak breath, and weakened vitality. It can be seen that this substance is toxic and can harm the health of living beings.
In the analysis of pharmacology, the source of this toxicity may be related to the structure of its molecules. The atomic arrangement is consistent, but it hides harmful mechanisms. We should delve deeply into its nature, explore the reasons for its harm, and prepare for protective measures to avoid its scourge and ensure the safety of everyone. Do not let this poison endanger the living beings of the world.
Future Prospects
Today there is a thing, named 4 - Fluoroisothiocyanatobenzene. We have studied it with the technology of chemistry, and we feel that its future is quite promising. This thing has unique properties and is expected to develop its talents in various fields such as chemical industry and medicine.
In the field of chemical industry, it may be the foundation of new materials. With its characteristics, the material has unique properties, is strong and durable, or has extraordinary stability, adding new strength to industry.
As for the road of medicine, it may be the key to the development of new drugs. With its chemical structure, it may be able to make special drugs, cure various diseases, and seek well-being for the world.
Although the road ahead may be difficult, we chemical researchers should move forward with enthusiasm and perseverance. With unremitting research, we hope that 4-Fluoroisothiocyanatobenzene will shine in the future, be used by the world, and benefit all living beings.
Where to Buy 4-Fluoroisothiocyanatobenzene in China?
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Frequently Asked Questions

As a leading 4-Fluoroisothiocyanatobenzene supplier, we deliver high-quality products across diverse grades to meet evolving needs, empowering global customers with safe, efficient, and compliant chemical solutions.

What are the main uses of 4-Fluoroisothiocyanatobenzene?
4 - Fluoroisothiocyanatobenzene, Chinese name 4 - fluorophenyl isothiocyanate, is a crucial raw material in organic synthesis and has a wide range of uses in many fields.
In the field of medicinal chemistry, it plays a key role. In many drug development processes, it can be used as a key intermediate to construct molecular structures with specific biological activities. Gain isothiocyanate groups have high reactivity and can react with many nucleophiles containing nitrogen, oxygen, sulfur, etc., to synthesize compounds with diverse structures. By reacting with various amine compounds, a series of compounds containing thiourea structures can be prepared. Some of these compounds have been shown to have antibacterial, antiviral, anti-tumor and other biological activities, which are of great significance for the creation of new drugs.
In the field of materials science, phenyl 4-fluoroisothiocyanate also has its uses. It can participate in the synthesis of polymer materials, introduce special functional groups into materials, and then improve the properties of materials. When preparing some functional polymers, it can be used as a monomer or modifier to participate in the polymerization reaction, giving polymers such as better solubility, thermal stability or special optical and electrical properties to meet the requirements of different application scenarios.
In the field of agricultural chemistry, this compound can be used to synthesize pesticides. By reacting with other organic compounds, the resulting products may have insecticidal, bactericidal or weeding activities, providing new pesticide products for agricultural production, helping to improve crop yield and quality, and ensuring sustainable agricultural development.
In addition, in the field of dye chemistry, 4-fluorophenyl isothiocyanate can be used as a raw material for the synthesis of special structural dyes. Through rational molecular design and reaction, dyes with high affinity and fastness to specific fibers or substrates can be synthesized to meet the needs of high-quality dyes in textile, printing and dyeing industries.
What are the physical properties of 4-Fluoroisothiocyanatobenzene?
4-Phenyl fluoroisothiocyanate is one of the organic compounds. Its physical properties are quite unique, and I will describe it here.
Looking at its shape, under room temperature and pressure, it is mostly colorless to light yellow liquid, and its appearance is clear and clear, like a clear spring, revealing a different kind of purity.
Smell the smell, 4-fluoroisothiocyanate phenyl ester has a strong and pungent smell. This smell is very strong and can be detected from a distance, like an invisible warning, informing everyone of its special chemical properties.
When it comes to the melting point, its melting point is low, around -15 ° C, just like the thin ice that is easy to melt in winter, it will turn into a fluid when it encounters a little warmth; while the boiling point is relatively high, reaching 202-204 ° C, it requires a higher temperature to turn it into a gaseous state, just like it can be sublimated after some tempering.
As for the density, it is about 1.22 g/cm ³, which is heavier than water. If it is placed in one place with water, it will slowly settle to the bottom like a sinking stone into water.
In terms of solubility, phenyl 4-fluoroisothiocyanate is insoluble in water, and the two are like incompatible strangers and difficult to fuse; however, it is soluble in organic solvents such as ethanol, ether, and dichloromethane. In these solvents, it can diffuse freely, just like fish entering water, showing good solubility.
In addition, phenyl 4-fluoroisothiocyanate has a certain volatility. In the air, its molecules resemble active spirits and gradually dissipate. This property also makes its odor easier to spread.
The physical properties of this compound are of great significance in many fields such as chemical synthesis and organic reactions. Chemists can use it skillfully according to its characteristics to achieve various delicate chemical purposes.
Is 4-Fluoroisothiocyanatobenzene chemically stable?
4-Phenyl fluoroisothiocyanate, the chemical properties of this substance are relatively non-polar stable.
Looking at its structure, it contains fluorine atoms and isothiocyanate groups. Fluorine atoms are electronegative, which can cause changes in the electron cloud density of the benzene ring, making the electrophilic substitution reaction activity on the benzene ring different from that of benzene. Its isothiocyanate group has high chemical activity and can react with many nucleophiles.
If placed in air or in contact with moisture, isothiocyanate groups are easy to hydrolyze, generating corresponding amines and carbon dioxide, causing them to deteriorate. And it is also corrosive to some metals, because fluorine atoms can help isothiocyanate groups to form complexes with metals, accelerating the corrosion process.
When storing, it is necessary to pay attention to sealing, avoid moisture, high temperature and strong light, and store in a cool and dry place to prevent its chemical properties from changing. Although under specific conditions, it can be used as a key intermediate in organic synthesis, but because of its high chemical activity, it must be properly stored in order to maintain a stable state, otherwise it is easy to change the chemical properties due to environmental factors and affect the use.
What are 4-Fluoroisothiocyanatobenzene synthesis methods?
There are various methods for the synthesis of phenyl 4-fluoroisothiocyanate. The most common one is to use 4-fluoroaniline as the starting material. First, 4-fluoroaniline is dissolved in a suitable organic solvent, such as dichloromethane, and sulfur phosgene is slowly added dropwise at a low temperature. This process requires close monitoring of the reaction temperature, not too high, to prevent side reactions. After adding it dropwise, heat it up to an appropriate temperature to fully react. After the reaction is completed, the product can be purified by conventional separation methods, such as vacuum distillation, column chromatography, etc., to obtain 4-fluoroisothiocyanate phenyl ester.
Furthermore, 4-fluorobenzoic acid can also be used as the starting material. It is first converted into 4-fluorobenzoyl chloride, which is often achieved by reagents such as thionyl chloride. Subsequently, 4-fluorobenzoyl chloride reacts with thiourea to form an intermediate. The intermediate is then properly treated, such as removing certain groups under alkaline conditions, and finally 4-fluorobenzene isothiocyanate can be obtained.
Another person who uses 4-fluorobenzene as a raw material first makes Grignard reagent, then reacts with carbon disulfide, and then goes through chlorination and other steps. The synthesis process has its own advantages and disadvantages, and the choice needs to be weighed according to the actual situation, such as the availability of raw materials, cost, product purity requirements, etc.
What 4-Fluoroisothiocyanatobenzene need to pay attention to when storing and transporting
4-Phenyl fluoroisothiocyanate, when storing and transporting, many matters need to be paid attention to. This is a chemical with special properties, which is slightly careless or dangerous, so it must be treated with caution.
The first word is storage. First, when looking for a cool, dry and well-ventilated place. Because the substance is quite sensitive to temperature and humidity, high temperature and humid environment, it is easy to cause its qualitative change. If it is exposed to high temperature, or its volatilization will intensify, not only will the material be lost, but the volatile gaseous substances may be irritating and toxic, endangering the surrounding environment and personal safety. Second, it must be stored separately from oxidants, acids, alkalis and other substances. 4-Phenyl fluoroisothiocyanate is chemically active. When it encounters the above substances, it is easy to cause violent chemical reactions, or cause serious consequences such as combustion and explosion. Third, the packaging must be tightly sealed where it is stored. If the sealing is not good, the substance is easy to react with moisture and oxygen in the air, changing its chemical structure and properties, affecting its quality and use efficiency.
Times and transportation. During transportation, the packaging material must be strong and durable, capable of resisting conventional vibration, collision and friction, to ensure that the packaging is not damaged during transportation. And the packaging surface should be clearly marked with warning labels, such as "toxic" and "irritating", so that the transporter and related personnel can see at a glance and be extra careful. The means of transportation must also be clean and pollution-free to avoid mixing with other chemicals to prevent cross-contamination and chemical reactions. Transport personnel should be professionally trained to be familiar with the characteristics of 4-fluorophenyl isothiocyanate and emergency treatment methods. During transportation, check the condition of the goods regularly. Once any abnormalities are detected, they should be properly disposed of immediately to ensure the safety of the whole transportation process.