3 Bromo 4 Methylthiophene
quinoline thiophene imidazole thiazole

3-bromo-4-methylthiophene

Taiy Chemical

    Specifications

    HS Code

    590363

    Name 3-bromo-4-methylthiophene
    Molecular Formula C5H5BrS
    Molecular Weight 179.06
    Appearance Typically a liquid
    Boiling Point Approx. 198 - 200 °C
    Density Around 1.59 g/cm³
    Solubility In Water Insoluble
    Solubility In Organic Solvents Soluble in common organic solvents like ethanol, dichloromethane
    Flash Point Approx. 73 °C
    Cas Number 51729-45-4
    Odor Characteristic sulfur - containing compound odor
    Color May be colorless to light - colored liquid

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    Frequently Asked Questions

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    What is the chemical structure of 3 - bromo - 4 - methylthiophene?
    3-Bromo-4-methylthiophene, its chemical structure is: thiophene ring is a pentaatomic heterocycle, composed of four carbon atoms and one sulfur atom, showing a planar structure and aromaticity. At position 3 of the thiophene ring, a bromine atom is connected, and this bromine atom is a halogen atom. Due to the large electronegativity of the bromine atom, it will have an electron-sucking induction effect on the thiophene ring, which affects the electron cloud density distribution on the ring. At position 4 of the thiophene ring, there is a methyl group connected, and methyl is the power supply subgroup, which will provide electrons to the thiophene ring, which will increase the electron cloud density on the ring to a certain extent. In this way, the chemical properties of 3-bromo-4-methylthiophene will be affected by these substituents. For example, in the electrophilic substitution reaction, the reactivity and substitution position will be different from the thiophene itself due to the electron-withdrawing action of bromine and the power supply of methyl. In this structure, each atom is connected to each other through covalent bonds to build a stable molecular structure, and each atom achieves a stable electron arrangement according to its own valence electron situation.
    What are the main uses of 3 - bromo - 4 - methylthiophene?
    3-Bromo-4-methylthiophene is one of the valuable organic compounds. It has a wide range of uses and has important applications in various fields.
    In the field of organic synthesis, this compound is often used as a key intermediate. Due to its unique structure, it can be derived from a variety of other organic compounds through various chemical reactions. For example, through nucleophilic substitution reactions, its bromine atom can be replaced by other functional groups, thereby constructing new compounds with dissimilarities and functions. This is of great significance in the creation of new drug molecules and specific structural compounds required in the field of materials science.
    In the field of medicinal chemistry, 3-bromo-4-methylthiophene also occupies an important position. Studies have shown that compounds containing thiophene structures often have unique biological activities. With this compound as a starting material, a series of chemical modifications and optimizations may lead to the development of new drugs with specific pharmacological activities, such as antibacterial, antiviral, anti-tumor and other drugs. Many drug development teams have conducted in-depth research on it, hoping to find innovative drugs with better efficacy and fewer side effects.
    In the field of materials science, 3-bromo-4-methylthiophene also shows potential application value. Based on it, through polymerization and other means, functional materials with special electrical and optical properties may be prepared. For example, in the synthesis of some conductive polymer materials, 3-bromo-4-methylthiophene may be involved as an important monomer, and the obtained materials may be used in electronic devices, photoelectric displays and other fields.
    In addition, in the field of fine chemicals, it can be used to synthesize high-end fine chemicals, such as special fragrances, dyes, etc. Because its structure can give products unique properties, it contributes greatly to improving product quality and added value.
    What are the synthesis methods of 3 - bromo - 4 - methylthiophene?
    The synthesis method of 3-bromo-4-methylthiophene has been used in ancient times, and there are many kinds, each with its own ingenuity.
    First, thiophene is used as the starting material, and it can be obtained through two steps of methylation and bromination. Take thiophene first, in an appropriate solvent, catalyze with a suitable base, react with methylating reagents such as iodomethane, and introduce methyl to obtain 4-methylthiophene. In this step, pay attention to the reaction temperature and time. If the temperature is too high or the time is too long, it may cause side reactions and cause the product to be impure. Then, dissolve 4-methylthiophene in an inert solvent, slowly add brominating reagents, such as bromine carbon tetrachloride solution, at low temperature, and control the bromination position at 3 positions. This process requires strict control of the reaction conditions. Excessive bromine or violent reactions can easily lead to the formation of polybrominates.
    Second, thiophene rings are constructed with sulfur and carbon sources and substituents are introduced at the same time. For example, 1,4-dicarbonyl compounds and vulcanizing reagents are cycled and condensed under acidic or basic conditions. If you want to introduce methyl and bromide atoms, you can add suitable reagents containing methyl and bromide to the reaction system, and ingeniously design the reaction path so that 3-bromo-4-methyl groups are precisely introduced when the thiophene ring is constructed. This method requires in-depth insight into the reaction mechanism in order to effectively control the reaction process and product structure. < Br >
    Third, the coupling reaction is catalyzed by metal. Halogenated thiophene or borate thiophene derivatives containing suitable substituents are first prepared, and then under the action of metal catalysts such as palladium catalysts, the coupling reaction occurs with the corresponding methylating reagents or brominating reagents. In this process, the choice of metal catalysts, the use of ligands, and the selection of reaction solvents and bases all have a great impact on the reaction yield and selectivity.
    All synthesis methods have advantages and disadvantages. The cost of starting materials, the difficulty of reaction conditions, and the purity and yield of the product are all key considerations. At the time of synthesis, we must carefully weigh and choose the best method to obtain pure 3-bromo-4-methylthiophene to meet the needs of all parties.
    What are the physical properties of 3 - bromo - 4 - methylthiophene?
    3-Bromo-4-methylthiophene is an organic compound with unique physical properties. Its properties are colorless to light yellow liquid, which exists stably at room temperature and pressure. The relative density of this substance is greater than that of water, about 1.55g/cm ³. It is difficult to dissolve in water, but it can be miscible with most organic solvents such as ethanol, ether, chloroform, etc. Due to the similar miscibility principle, its molecular structure characteristics make it stronger than the force between organic solvent molecules and water molecules.
    The boiling point of 3-bromo-4-methylthiophene is about 200-210 ° C. The higher boiling point is due to the existence of van der Waals force between molecules, and the bromine-containing atom increases the intermolecular force. More energy is required to overcome this force to make it change from liquid to gaseous state. Its melting point is about -20 ° C, and it is liquid at room temperature because of this.
    The compound is volatile and can smell a special odor in the air. Its vapor pressure is low and its volatilization rate is slow at room temperature. It has certain stability to light and heat, but under long-term light or high temperature environment, it may cause chemical reactions to cause structural changes.
    In addition, the refractive index of 3-bromo-4-methylthiophene is about 1.580-1.590, which is a material characteristic constant and can be used for identification and purity analysis. In the field of organic synthesis, its physical properties provide the basis for the selection of reaction conditions, product separation and purification, and are of great significance to chemical research and industrial production.
    What are the precautions for 3 - bromo - 4 - methylthiophene during storage and transportation?
    3-Bromo-4-methylthiophene is also an organic compound. During storage and transportation, many matters must be paid attention to.
    First words storage, this compound should be placed in a cool, dry and well-ventilated place. Because it is sensitive to light and heat, light and high temperature can easily cause it to decompose or deteriorate, so it should be avoided from direct sunlight and heat sources. Furthermore, it is necessary to ensure that the storage container is sealed to prevent it from coming into contact with air, moisture, etc. Because moisture may cause reactions such as hydrolysis, which will affect its quality. The storage place should also be free of fire sources and flammable and explosive substances to prevent accidents.
    As for transportation, make sure that the packaging is intact before transportation. Packaging materials should be able to effectively resist vibration, collision and friction, so as to avoid the leakage of compounds caused by damage to the container. During transportation, it is also necessary to maintain a suitable temperature and humidity environment, and must not expose it to extreme conditions. Transportation vehicles should be equipped with corresponding emergency treatment equipment, such as adsorption materials, fire extinguishers, etc., to prevent leakage accidents from happening in a timely manner. And transportation personnel must be professionally trained to be familiar with the characteristics of this compound and emergency treatment methods, so as to ensure the safety of the transportation process.