3-Chloro-4-Fluorobenzenethiolate

Linshang Chemical

Specifications

HS Code

454135

Chemical Formula C6H4ClFS
Molar Mass 162.61 g/mol
Appearance Typically a solid (description may vary based on purity)
Odor Characteristic sulfur - containing odor
Solubility In Water Low solubility in water
Solubility In Organic Solvents Soluble in many organic solvents like ethanol, acetone
Melting Point Data may vary, needs experimental determination
Boiling Point Data may vary, needs experimental determination
Density Data may vary, needs experimental determination
Stability Can be sensitive to air and moisture

As an accredited 3-Chloro-4-Fluorobenzenethiolate factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.

Packing & Storage
Packing 100g of 3 - chloro - 4 - fluorobenzenethiolate in a sealed, chemical - resistant bottle.
Storage 3 - Chloro - 4 - fluorobenzenethiolate should be stored in a cool, dry, well - ventilated area away from heat sources and ignition points. Keep it in a tightly sealed container to prevent contact with air and moisture, which could lead to decomposition. Store it separately from oxidizing agents and incompatible substances to avoid potential chemical reactions.
Shipping 3 - Chloro - 4 - fluorobenzenethiolate, a chemical, is shipped in accordance with strict hazardous material regulations. Packed in specialized containers, it's transported by carriers trained in handling such substances to ensure safety during transit.
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3-Chloro-4-Fluorobenzenethiolate 3-Chloro-4-Fluorobenzenethiolate
General Information
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Frequently Asked Questions

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What is the chemical structure of 3-chloro-4-fluorobenzenethiolate?
The analysis of the chemical structure of 3-chloro-4-fluorophenylthiophenol salt requires the understanding of the bonding mode of each atom and group. This compound is based on the benzene ring. The benzene ring is a six-membered carbon ring with a unique conjugated π electronic system. It has a planar hexagonal structure, and each carbon is bonded with a sp ² hybrid orbital.
Above the benzene ring, the 3-carbon chlorine atom and the 4-carbon fluorine atom. The chlorine atom, one of the halogen elements, has strong electronegativity. It is connected to the benzene ring. Due to the induction effect, the electron cloud density of the benzene ring changes. The fluorine atom is also a halogen element, and the electronegativity is extremely strong. The effect on the benzene
In addition, benzenthiophenates, one of the benzene rings, carbonanthiol (-SH), are in the form of thiols, that is, sulfur atoms lose protons and are negatively charged, or form salts with cations such as metal ions. Sulfur atoms are in the oxygen group in the periodic table of elements, rich in valence electrons, and can form a variety of chemical bonds.
The chemical structure of this compound, each atom interacts with the group, so that the whole takes on a specific electron distribution and spatial configuration, which has a significant impact on its physical and chemical properties. Properties such as solubility and reactivity are closely related to this chemical structure. The complexity and uniqueness of its structure lay the foundation for chemical research and application, and may have important uses in organic synthesis, medicinal chemistry and other fields.
What are the main physical properties of 3-chloro-4-fluorobenzenethiolate?
3-Chloro-4-fluorobenzothiophenol salt is a genus of organic compounds. Its main physical properties are as follows:
Looking at its properties, under normal circumstances, it is mostly in a solid state, and its color is either white to light yellow powder or crystalline. This is due to the arrangement and combination of chlorine, fluorine and other atoms in the molecular structure, resulting in different intermolecular forces, so this state appears.
When it comes to the melting point, it is usually in a specific temperature range, which is restricted by the interaction between molecules. The electronegativity of chlorine and fluorine atoms is quite high, which has a significant impact on the intermolecular forces, making their melting points different from others.
In terms of solubility, it has a certain solubility in organic solvents, such as ethanol, ether, acetone, etc. Due to its molecular structure containing thiophenate groups, which have a certain polarity, it interacts with the polar part of the organic solvent and is soluble. However, in water, the solubility is relatively small, because the polarity of the water molecule matches the polarity of the compound to a limited extent, and its organic group is large, and the hydrophobic effect is obvious.
As for the density, it is generally larger than that of water, which is also closely related to the type and arrangement of atoms in the molecule. The relative atomic mass of chlorine and fluorine atoms is larger, and the compactness of the molecular structure increases the mass per unit volume.
Volatility, due to its relatively strong intermolecular force, volatility is weak. Chemical bonds formed by chlorine and fluorine atoms and intermolecular forces bind the movement of molecules, making them less volatile.
This is the main physical properties of 3-chloro-4-fluorobenzenthiophenol salts, which are caused by their unique molecular structures. These properties have a significant impact on many fields such as organic synthesis.
What chemical reactions are 3-chloro-4-fluorobenzenethiolate commonly used in?
3-Chloro-4-fluorophenylthiophenol salt is often used in many reactions in organic synthesis. It is quite crucial in nucleophilic substitution reactions. The sulfur atom of Gaeinthiophenol salt is electron-rich and can be used as a nucleophilic reagent. It reacts with substrates such as halogenated hydrocarbons to obtain thioether compounds. In this reaction, although the chlorine and fluorine atoms of 3-chloro-4-fluorophenylthiophenol salt are not directly involved in nucleophilic substitution, their presence on the benzene ring can affect the electron cloud density of the benzene ring and play a role in the activity and selectivity of nucleophilic substitution.
It is also seen in metal-catalyzed reactions. For example, in a palladium-catalyzed cross-coupling reaction, 3-chloro-4-fluorophenylthiophenol can be coupled with alkenyl, aryl-containing halides or borate esters to form carbon-sulfur bonds to form complex organic molecules. This reaction activates the substrate with a metal catalyst, linking the sulfur atom of the phenylthiophenol to another specific atom of the substrate, providing a path for organic synthesis to create novel carbon-sulfur bond compounds.
In addition, in some reactions to construct heterocyclic compounds, 3-chloro-4-fluorophenylthiophenol may participate in cyclization reactions. The sulfur atom may interact with other reactive functional groups in the system and be cyclized within the molecule to obtain a sulfur-containing heterocyclic structure. This heterocyclic compound often has unique properties and potential applications in the fields of medicinal chemistry and materials science, such as as as a drug lead compound or a structural unit of functional materials.
What are the preparation methods of 3-chloro-4-fluorobenzenethiolate?
There are several ways to prepare 3-chloro-4-fluorobromobenzene thiophenates.
First, 3-chloro-4-fluorobromobenzene is used as the starting material. First, 3-chloro-4-fluorobromobenzene and thiourea are heated and refluxed in a suitable solvent, such as ethanol. In this reaction, the sulfur atom of thiourea undergoes nucleophilic substitution of the halogenated aromatic hydrocarbon to form the corresponding thiourea intermediate. After that, the intermediate is treated with a strong alkali solution, such as sodium hydroxide solution. After hydrolysis, 3-chloro-4-fluorothiophenol can be obtained, and then 3-chloro-4-fluorothiophenol can be formed by reacting with the base. This process needs to pay attention to the control of reaction temperature and time. If the temperature is too high or the time is too long, it may cause side reactions and affect the purity and yield of the product.
Second, it can be started from 3-chloro-4-fluoronitrobenzene. First, 3-chloro-4-fluoronitrobenzene is reduced to 3-chloro-4-fluoroaniline, and the commonly used reducing agents are iron and hydrochloric acid systems. After obtaining 3-chloro-4-fluoroaniline, it is reacted by diazotization, treated with sodium nitrite and hydrochloric acid at low temperature to form a diazonium salt. Then the diazonium salt reacts with potassium thiocyanate to introduce thiocyanyl groups. Subsequent hydrolysis steps can prepare 3-chloro-4-fluorothiophenol, and finally react with the base to form 3-chloro-4-fluorothiophenol salt. This route is a bit complicated, but the reaction conditions of each step are relatively mild. It is necessary to pay attention to the precise control of the reaction conditions of each step, especially the low temperature requirements of the diazotization reaction, in order to avoid undesirable conditions such as the decomposition of diazonium salts.
Third, if you use 3-chloro-4-fluorophenol as a raw material. First convert 3-chloro-4-fluorophenol into the corresponding halogenate, such as reacting with phosphorus oxychloride to convert the hydroxyl group into a chlorine atom to obtain 3-chloro-4-fluorochlorobenzene. After reacting with sodium sulfide and other vulcanizing reagents in suitable solvents and conditions, sulfur ions nucleophilic substituted chlorine atoms to generate 3-chloro-4-fluorobenzothiophenol, and then formed salts. This path requires attention to the optimization of halogenation reaction and vulcanization reaction conditions. The choice of solvent has a great impact on the reaction process and product formation.
What are 3-chloro-4-fluorobenzenethiolate common application fields?
3-Chloro-4-fluorothiophenol salts are useful in many fields. In the field of medicinal chemistry, they are often the key intermediates for the synthesis of special-effect drugs. Taking antibacterial drugs as an example, their unique chemical structure can be cleverly designed to introduce drug molecules, endow the drug with different antibacterial activities, and have excellent inhibition of specific pathogens.
In materials science, it is also quite useful. It can participate in the modification of polymer materials. Adding this compound can improve the properties of materials, such as enhancing the oxidation resistance of materials and improving their stability. If used in plastic materials, it may greatly increase its durability and prolong the service life of materials.
In the field of organic synthesis chemistry, it plays an important role. Because of its active thiophenol groups, it is easy to react with many electrophilic reagents, providing a convenient way to construct complex organic molecular structures. Chemists can precisely synthesize the desired target products by selecting different reaction conditions and reactants, which is of great help in the creation of new compounds.
In the field of pesticide research and development, it may also make a difference. Or as a lead compound, through structural modification and optimization, a new type of pesticide with high efficiency, low toxicity and environmental friendliness can be developed, which has a unique mechanism of action on pests and achieves good control effect.
All of these are common applications of 3-chloro-4-fluorothiophenol salts, which are of great value in many disciplines and industrial fields and promote the development and progress of various fields.