1 Iodo 2 Methylsulfanyl Benzene
Iodobenzene

1 Iodo 2 Methylsulfanyl Benzene

Fengxi Chemical

Specifications

HS Code

171072

Chemical Formula C7H7IS
Molar Mass 250.10 g/mol
Appearance Typically a liquid (physical state may vary based on conditions)
Boiling Point Data may vary, generally in a specific range related to its molecular structure
Melting Point Data may vary depending on purity and measurement conditions
Density Value specific to the compound based on its mass - volume relationship
Solubility In Water Low solubility as it is an organic compound with non - polar components
Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform etc.
Odor May have a characteristic organic odor
Stability Stable under normal conditions but may react with strong oxidizing agents
Chemical Formula C7H7IS
Molecular Weight 250.1
Appearance Colorless to light yellow liquid
Boiling Point 273 - 274 °C
Melting Point N/A
Density 1.75 g/cm³
Solubility In Water Insoluble
Solubility In Organic Solvents Soluble in common organic solvents like ethanol, ether
Flash Point 119.9 °C
Vapor Pressure Low
Chemical Formula C7H7IS
Molecular Weight 250.099 g/mol
Appearance Colorless to light yellow liquid
Boiling Point 264 - 266 °C
Melting Point N/A
Density 1.727 g/cm³
Solubility In Water Insoluble
Solubility In Organic Solvents Soluble in common organic solvents like ethanol, ether
Flash Point 113 °C
Odor Characteristic odor
Cas Number 17740-45-5
Chemical Formula C7H7IS
Molar Mass 250.099 g/mol
Appearance Typically a liquid
Solubility In Water Insoluble in water
Solubility In Organic Solvents Soluble in common organic solvents like ethanol, acetone
Odor May have a characteristic organic sulfur - related odor
Packing & Storage
Packing 100 g of 1 - iodo - 2 - (methylsulfanyl)benzene in a sealed, labeled glass bottle.
Storage 1 - iodo - 2 - (methylsulfanyl)benzene should be stored in a cool, dry, well - ventilated area, away from heat sources and open flames. Keep it in a tightly sealed container to prevent evaporation and exposure to air, which could potentially lead to oxidation. Store it separately from oxidizing agents and incompatible substances to avoid chemical reactions.
Shipping 1 - iodo - 2 - (methylsulfanyl)benzene is shipped in properly labeled, sealed containers. Shipment adheres to strict chemical transport regulations, ensuring safe handling during transit to prevent any potential hazards.
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1-iodo-2-(methylsulfanyl)benzene 1-iodo-2-(methylsulfanyl)benzene 1-iodo-2-(methylsulfanyl)benzene
General Information
Frequently Asked Questions
What are the chemical properties of 1-iodo-2- (methylsulfanyl) benzene?
1 - iodo - 2 - (methylsulfanyl) benzene, the Chinese name is often iodine-anisole sulfide. This material has special properties and is very important for chemical synthesis.
In terms of its chemical activity, the iodine atom is highly active. Due to the fragile carbon-iodine phase, it is easy to generate nuclear substitution reversals. In case of nuclear reagents, the iodine atom is replaced to form a new compound. For example, the alkoxy anisole derivative is obtained by replacing the iodine atom with an alcohol. This is commonly used in the synthesis of specific ether compounds.
Methylthio groups also have some activity. Sulfur atoms have solitons, which can be used as weak nuclei or ligands. In some gold catalytic reversals, methyl sulfide groups can coordinate gold, affect the reversal process and performance. Moreover, its phase is fixed, and it is not easy to crack under normal conditions, but under the action of oxidation, sulfur atoms can be oxidized to form sulfur or sulfur compounds.
In addition, the presence of benzene makes the sulfur compounds aromatic, and can generate aromatic compounds on aromatic compounds. Affected by iodine atoms and methyl sulfide, the reversal is mainly in the favorable position of the two localization effects. Usually, the joint action of the localization groups at the localization sites at the localization sites, such as nitrification and reversal, makes the benzene mainly attack the location of the benzene phase. Nitro groups may mainly enter specific localization sites.
1 - iodo - 2 - (methylsulfanyl) benzene is rich in chemical properties, and iodine atoms, methyl sulfanyl groups and benzene interact with each other, providing many possibilities for synthesis. It is widely used in fields such as chemical synthesis and material processing.
In which reactions is 1-iodo-2- (methylsulfanyl) benzene commonly used as a reactant?
1-Iodo-2 - (methylsulfanyl) benzene, which is 1-iodo-2-methylthiobenzene, is often used as a reactant in many reactions in organic synthesis.
In the nucleophilic substitution reaction, its iodine atom is quite active, which is easy to be attacked by nucleophilic reagents. Iodine ions leave to form novel carbon-nucleophilic reagent bonds. For example, when reacted with alkoxides, anion alcohol as a nucleophilic reagent can replace iodine atoms to produce compounds containing methylthiophenoxy, which is crucial in the synthesis of ether compounds.
In the catalytic coupling reaction of metals, 1-iodine-2 - (methylsulfanyl) benzene also plays an important role. For example, in the palladium-catalyzed cross-coupling reaction, it can react with boric acid or borate containing alkenyl and aryl groups to realize the construction of carbon-carbon bonds. This reaction can effectively synthesize biphenyls or alkenylbenzene compounds with methylthio groups. It is widely used in the fields of medicinal chemistry and materials science, and is involved in the preparation of many drug molecules and optoelectronic materials.
In addition, in some reactions involving the conversion of substituents on the benzene ring, 1-iodine-2 - (methylsulfanyl) benzene will affect the subsequent reaction check point and the regioselectivity of the product due to the localization effect of methylsulfanyl and iodine atoms. Methylsulfanyl is an ortho-para-localization group. In reactions such as electrophilic substitution, it can guide new substituents into specific positions in the benzene ring, interact with iodine atoms, and influence the reaction process and product structure.
What are the synthesis methods of 1-iodo-2- (methylsulfanyl) benzene?
1-Iodo-2 - (methylsulfanyl) benzene, that is, o-iodoanisulfide, is commonly synthesized by the following methods.
First, o-iodobromobenzene and sodium methyl mercaptan are used as raw materials, reacted in an appropriate solvent under heating and catalyst. For this reaction, o-iodobromobenzene and an appropriate amount of N, N-dimethylformamide (DMF) are placed in a reactor, protected by nitrogen, heated to a certain temperature, and then slowly added dropwise to the DMF solution of sodium methyl mercaptan. The sulfur atom of sodium methyl mercaptan nucleophilically attacks the carbon attached to the bromine atom in o-iodobromobenzene, and the bromine ions leave, so o-iodoanisulfide is obtained. The reaction conditions are mild and the yield is acceptable. However, sodium methyl mercaptan has a foul smell, so the operation needs to be cautious, and DMF is not easy to completely remove, and the post-treatment is slightly complicated.
Second, o-iodoaniline is used as the starting material and prepared by diazotization, Sandmeier reaction and sulfur methylation. First, o-iodoaniline is dissolved in a hydrochloric acid solution, cooled to a low temperature, and the sodium nitrite solution is added dropwise for diazotization to generate o-iododiazonitrile. Subsequently, the diazosalt solution is added to the solution containing cuprous cyanide containing sulfur, and the Sandmeier reaction occurs to obtain iodoo-benzonitrile. O-iodothiophenol can be obtained by hydrolysis and reduction of o-iodothiophenol, and then reacted with iodomethane under alkaline conditions. The negative ion of thiophenol nucleophilic replaces the iodine of iodomethane to form the target product o-iodoanisulfide. There are many steps in this route, but the raw materials are relatively easy to obtain, and the reaction conditions of each step are relatively mature, which is suitable for small amount preparation in the laboratory.
Third, use o-halogenated thiophenol and iodomethane as raw materials to react under alkaline conditions. Take o-halogenated thiophenol and put it in an appropriate solvent such as ethanol, add a base such as potassium carbonate, stir and dissolve, and add iodomethane dropwise after heating. The base captures the hydrogen of the sulfur-hydrogen bond in o-halogenated thiophenol to form thiophenol negative ions, which have strong nucleophilicity and attack the methyl carbon of iodine methane. The iodine ions leave to obtain the target product. This method is easy to operate, the raw materials are common, and the yield is considerable. If the halogen atom activity of halogenated thiophenol is suitable, the reaction can proceed smoothly, and it is often a common method for the synthesis of o-iodine thiophenol.
What are the physical properties of 1-iodo-2- (methylsulfanyl) benzene?
1 - iodo - 2 - (methylsulfanyl) benzene, the Chinese name is often iodine-anisole sulfide. Its physical properties are as follows:
On the outer surface, it is often liquid. Because its molecules contain benzene, iodine and sulfur atoms, the molecular weight of the phase is large, so that the molecular force is increased, and it is not easy to melt under normal conditions.
In terms of melting and boiling, it has a certain boiling. Due to the existence of van der force in the molecule, including dispersion force, boiling force and orientation force, the iodine atom and the sulfur-containing group increase the molecular resistance, so that the molecular force is increased, and the boiling force is increased, with a certain degree of resistance. Melting is affected by the integrity of molecular arrangement, and its molecules are not uniform. Molecules are closely arranged, so the melting phase is not high, and the liquid is maintained under normal conditions.
Solubility, insoluble in water. Due to its molecular integrity and non-solubility, benzene and non-solubility, iodine atoms and methyl-sulfur-based molecules have limited properties, while water is insoluble, and the principle of root similarity is soluble, and the substance is soluble in water. However, it is soluble in many soluble substances, such as ethanol, ether, chloroform, etc. Due to its solubility and multi-solubility or weak solubility, 1-iodo-2 - (ylmethsulfanyl) benzene molecules have similar forces and are easily miscible with each other.
The density is larger than that of water. The amount of iodine atoms in the molecule is large, which increases the amount of the whole molecule and the amount of the substance in the molecule. The density exceeds that of water. If the water is mixed, it will sink underwater.
In addition, the mixture has a certain quality, often a small amount of the mixture is released into the air, and it has a special taste. Due to the existence of sulfur-containing compounds, the smell may be pungent and harsh.
What are the common application fields of 1-iodo-2- (methylsulfanyl) benzene?
1 - iodo - 2 - (methylsulfanyl) benzene, the Chinese name for 2 - methylthioiodobenzene, this compound has its usual use in the polymorphism domain.
In the polymorphism domain, it can be used as an important medium. Due to the excellent activity of iodine atoms, it is easy to replace and react. For example, under the catalysis of gold, it can generate new carbon-carbon-containing nuclei such as carbon, nitrogen, and oxygen, like the catalyzed Suzuki coupling, which can form new carbon-carbon molecules and help build a molecular framework. It is essential for the synthesis of materials and other materials.
In the physicochemical domain, because of its sulfur-methyl-iodine atom, it can give molecular-specific physical and chemical properties and biological activities. Sulfur atoms can interact with protein molecules, and iodine atoms can change molecular properties, fat solubility, and influence the effect of chemical substitution. Therefore, it is often used for the synthesis of novel chemical molecules. It can be modified by the method to explore climate compounds with higher activity, low toxicity, and lower toxicity.
In the field of materials science, it can be used as a starting material for the synthesis of functional materials. For example, the introduction of specific functionalities from a series of reactions can synthesize materials with special light, magnetism, and magnetism. Its iodine atom can be synthesized from high-performance materials, which can improve the performance of materials. It may be useful in optical diodes (OLEDs), high-performance energy pools, etc.

Therefore, the characteristics of 2-methylthioiodobenzene play an indispensable role in many fields such as synthesis, physicochemistry, and materials science, promoting the development of various fields.