Chemical Formula | C6H3ClFS- |
Molar Mass | 162.59 g/mol (approximate for the anion) |
Appearance | Likely a white - off - white solid (predicted from similar thiolate salts) |
Odor | Strong, pungent sulfur - like odor (characteristic of thiolates) |
Solubility In Water | Low solubility (thiolates of aromatic compounds are generally sparingly soluble in water) |
Solubility In Organic Solvents | Soluble in polar organic solvents like ethanol, acetone (due to the polar nature of the thiolate group) |
Acidity Basicity | Basic (thiolate anion can accept a proton) |
Reactivity | Reactive towards electrophiles, can participate in substitution reactions |
Name | 3-chloro-4-fluorobenzenethiolate |
Molecular Formula | C6H3ClFS- |
Molar Mass | 162.54 g/mol (approximate for the anion) |
Solubility In Water | Depends on the cation paired with the thiolate; may be sparingly soluble if paired with a large hydrophobic cation, more soluble with small hydrophilic cations |
Solubility In Organic Solvents | Soluble in polar organic solvents like DMSO, DMF; less soluble in non - polar solvents like hexane |
Pka Of The Conjugate Acid 3 Chloro 4 Fluorobenzenethiol | Estimated around 7 - 9 (thiol pKa range, influenced by chloro and fluoro substituents) |
Reactivity | Reactive towards electrophiles; can participate in S - alkylation, S - acylation reactions |
Name | 3-chloro-4-fluorobenzenethiolate |
Chemical Formula | C6H3ClFS- |
Molar Mass | 162.59 g/mol (approximate, based on formula) |
Appearance | Typically a solid (but can vary depending on counter - ion) |
Solubility In Water | Low solubility, being a relatively non - polar organic anion |
Solubility In Organic Solvents | Soluble in non - polar or moderately polar organic solvents like dichloromethane, toluene |
Odor | May have a characteristic sulfur - containing odor |
Stability | Can be sensitive to air and moisture over time |
Pka Of The Corresponding Thiol Approximate | Around 8 - 10 (estimated for related thiols) |
Boiling Point Of Neutral Thiol Precursor | Higher than common benzene derivatives due to the presence of S and electronegative atoms |
Density Estimated For Solid | Around 1.3 - 1.5 g/cm³ (estimated) |
What are the chemical properties of 3-chloro-4-fluorobenzenethiolate?
3-Chloro-4-fluorobenzenthiophenates are organic compounds and the like. Its chemical properties are particularly important, and it is related to many chemical changes and applications.
First of all, its reactivity. In this compound, the presence of chlorine and fluorine atoms has a significant impact on the distribution of benzene ring electron clouds. Chlorine and fluorine atoms have electron-absorbing effects, which reduce the electron cloud density of the benzene ring, so that the electrophilic substitution activity of the benzene ring is lower than that of benzene. However, in the nucleophilic substitution reaction, the thiophenate part can exhibit considerable activity. Its sulfur atom has lone pair electrons, which are nucleophilic and can react with a variety of electrophilic reagents.
Review its stability. Due to the presence of chlorine and fluorohalogen atoms, the molecular structure has a certain stability. However, under certain conditions, such as strong alkaline or high temperature environments, halogen atoms may undergo substitution or elimination reactions, resulting in molecular structure changes.
Furthermore, its solubility. Generally speaking, 3-chloro-4-fluorothiophenol salts may have a certain solubility in organic solvents such as ethanol and acetone, but their solubility in water may be limited, which is related to molecular polarity and structure.
In addition, its chemical properties also affect the various chemical reactions it participates in. For example, it can participate in the formation of carbon-sulfur bonds for the construction of more complex organic molecular structures, which is of great value in the field of organic synthesis. The presence of halogen atoms also provides a variety of possibilities for subsequent derivatization reactions. Different functional groups can be introduced through the substitution of halogen atoms to expand the function and application of compounds.
What are the physical properties of 3-chloro-4-fluorobenzenethiolate?
3-Chloro-4-fluoro-thiophenol salt is one of the organic compounds. Its physical properties are unique and it is widely used in various fields of chemical industry.
In terms of its appearance, under room temperature and pressure, 3-chloro-4-fluoro-thiophenol salt is mostly in a solid state, either powdery or crystalline, with a fine texture. The color is often white or off-white, depending on its purity and preparation process.
When it comes to the melting point, the melting point of this compound is quite critical. After many experiments, its melting point is within a specific range, but the exact value will vary slightly depending on the presence or absence of impurities and the amount of content. In general, the melting point of pure 3-chloro-4-fluoro-thiophenol salt is relatively stable, which can provide an accurate temperature reference for chemical production and experimental operations, and is of great significance for crystallization, separation and other process steps.
Solubility is also one of its important physical properties. 3-chloro-4-fluoro-thiophenol salt has different solubility in organic solvents. It can have a certain solubility in some polar organic solvents, such as ethanol and acetone. This property makes it easy to be used as a reactant or intermediate in organic synthesis reactions, evenly dispersed in the reaction system, and promotes the smooth progress of the reaction. In water, its solubility is relatively low. Due to the characteristics of molecular structure, hydrophobic groups dominate, so it is difficult to dissolve in aqueous phase systems with strong polarity.
As for density, although the number of relevant research data is limited, it also has relatively stable values under specific conditions. The determination of density has reference value in material transportation, storage and reaction system design, which can assist chemical practitioners in accurately planning the capacity of reaction vessels and the ratio of materials.
In addition, 3-chloro-4-fluorothiophenol salts may have a certain odor, but the intensity and characteristics of the odor may vary due to the influence of content and environmental factors. The source of its odor is related to the sulfur atoms in the molecular structure. The chemical bonds formed by the sulfur atoms can evaporate some odorous small molecules under specific conditions, adding unique odor characteristics to the compound.
In summary, the physical properties of 3-chloro-4-fluorothiophenol salts are diverse, and they play an important role in many fields such as chemical synthesis and material preparation. In-depth investigation of their physical properties is of great significance for optimizing the production process and expanding the application range.
What are the main uses of 3-chloro-4-fluorobenzenethiolate?
3-Chloro-4-fluorobenzene thiophenates have a wide range of uses. In the field of organic synthesis, they are often key intermediates. They can participate in the construction of various sulfur-containing benzene compounds. This is because the sulfur atoms of thiophenols are nucleophilic and can react with many electrophilic reagents. For example, when they meet halogenated hydrocarbons, they can form thioether compounds through nucleophilic substitution reactions. Such compounds have important applications in pharmaceutical chemistry, materials science, etc.
In the process of drug development, sulfur-containing compounds exhibit unique biological activities. The products derived from 3-chloro-4-fluorophenylthiophenol may have antibacterial, antiviral, anti-tumor and other pharmacological properties. By structural modification and modification, researchers are expected to find new drugs with high efficiency and low toxicity.
In the field of materials science, the materials involved in the synthesis may have special optical and electrical properties. For example, some sulfur-containing benzene-based polymer materials, or due to the introduction of sulfur atoms, exhibit excellent electrical conductivity or fluorescence properties, and have great potential in electronic devices, optical sensors and other fields.
Furthermore, in the fine chemical industry, 3-chloro-4-fluorophenylthiophenol salts can be used to prepare special surfactants, catalyst ligands, etc. Its unique structure endows the products with special properties, which can meet the needs of different industrial production and help improve product quality and performance.
In summary, 3-chloro-4-fluorophenylthiophenol salts play an important role in many fields, providing key raw materials and pathways for the development of organic synthesis, drug development, materials science and fine chemicals.
What is 3-chloro-4-fluorobenzenethiolate synthesis method?
3-Chloro-4-fluorobromobenzene and thiophenol salts are also organic compounds. The synthesis method covers various paths.
First, 3-chloro-4-fluorobromobenzene can be started from 3-chloro-4-fluorobromobenzene. First, 3-chloro-4-fluorobromobenzene and magnesium chips are mixed in an inert solvent such as anhydrous ether, and at an appropriate temperature, the Iger's reaction method is used to generate 3-chloro-4-fluorophenyl magnesium bromide. This step requires strict temperature control and does not overreact to the purity of Pogel's reagent. Then, 3-chloro-4-fluorophenylmagnesium bromide is reacted with carbon disulfide to form the corresponding thiocarboxylate. Finally, treated with acid or other suitable reagents, 3-chloro-4-fluorothiophenol can be obtained, and then reacted with alkali to form 3-chloro-4-fluorothiophenol.
Second, 3-chloro-4-fluoroaniline can be used. 3-chloro-4-fluoroaniline is prepared by diazotization. During diazotization, the concentration, temperature and reaction time of the acid need to be accurately controlled to avoid the decomposition of the diazonium salt. Then, the 3-chloro-4-fluorodiazonium salt reacts with the thiocyanate to form 3-chloro-4-fluorophenyl thiocyanide. After hydrolysis, alkalization and other steps, 3-chloro-4-fluorophenyl thiophenol salt can also be obtained.
There are also those who use 3-chloro-4-fluorophenol as raw material. 3-Chloro-4-fluorophenol is first converted into the corresponding halogenate, and then reacted with sulfur-containing reagents such as sodium sulfide. Under appropriate conditions, 3-chloro-4-fluorophenylthiophenol can also be synthesized.
The synthesis process, various reaction conditions, such as temperature, pH, reaction time, reagent ratio, etc., all have a great impact on the purity and yield of the product. Experimenters can only obtain satisfactory results when they carefully operate and observe the progress of the reaction.
3-chloro-4-fluorobenzenethiolate what are the precautions in storage and transportation?
3-Chloro-4-fluorothiophenol salt, during storage and transportation, be sure to pay attention to many matters.
It may have certain chemical activity. When storing, the first environment should be selected. It should be placed in a cool, dry and well-ventilated place, away from fire and heat sources. Due to heat and humidity, its chemical properties can be changed or adverse reactions can occur. If it is in a humid environment or in contact with water, it may cause reactions such as hydrolysis and damage its quality.
Furthermore, the storage place should be separated from oxidants, acids and other substances. This is due to the violent chemical reaction of this compound or with such substances, which can even cause fire, explosion and other dangers.
When transporting, the packaging must be tight and sturdy. Select suitable packaging materials to prevent the package from being damaged due to collision and vibration during transportation, and the leakage of 3-chloro-4-fluorobenzenthiophenol salt. And the transportation vehicle also needs to have corresponding fire and explosion-proof facilities to ensure complete safety.
In addition, the transportation personnel should be familiar with the characteristics of the substance and emergency disposal methods. In case of emergencies such as leakage, they can act quickly according to the established emergency plan to minimize the harm. In short, during the whole process of storage and transportation of 3-chloro-4-fluorobenzothiophenol salt, we should exercise caution and adhere to all safety regulations to ensure safety.