4 Bromo 2 4 Chlorophenyl 5 Trifluoromethyl 1h Pyrrole 3 Carbonitrile
pyridine pyrrole pyrazine piperidine piperazine

4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

    Specifications

    HS Code

    391078

    Chemical Formula C12H4BrClF3N2
    Molar Mass 351.52 g/mol
    Appearance Solid (usually a powder or crystalline solid)
    Physical State At Room Temp Solid
    Solubility In Water Low (hydrophobic due to the non - polar groups)
    Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform
    Melting Point Data may vary, typically in a certain temperature range depending on purity
    Boiling Point Higher boiling point due to relatively large and polarizable molecule
    Density Calculated or experimentally determined value related to mass and volume
    Pka Value associated with the acidity of the pyrrole - NH group (if applicable)

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    General Information
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    Frequently Asked Questions

    As a leading 4-Bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile 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 chemical properties of 4-Bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-carbonitrile
    4-Bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-formonitrile, which is an organic compound. It has unique chemical properties.
    From the structural point of view, the compound contains bromine atoms, chlorophenyl, trifluoromethyl and cyanyl on the pyrrole ring. Bromine atoms have a large atomic radius and electronegativity, which can affect the electron cloud distribution of molecules and cause molecular polarity changes. Bromine atoms are often a good leaving group for nucleophilic substitution reactions in chemical reactions, which is conducive to reacting with other nucleophilic reagents and forming new chemical bonds. < Br >
    4 -chlorophenyl moiety, chlorine atoms have electron-absorbing effects, which can reduce the electron cloud density of the benzene ring and affect the reactivity of the benzene ring. It is connected to the pyrrole ring, or changes the electron cloud distribution of the pyrrole ring, which in turn affects the reactivity and physical properties of the whole molecule.
    Trifluoromethyl is a strong electron-absorbing group with high electronegativity and chemical stability. Its presence can greatly change the polarity and lipophilicity of the molecule, making the compound more soluble in some organic solvents. In terms of biological activity, the introduction of trifluoromethyl can often significantly change the biological activity of the compound, such as enhancing its interaction with biological targets.
    Cyanyl groups have higher reactivity and can participate in a variety of reactions, such as hydrolysis to form carboxylic acids, addition to nucleophiles, etc. It also affects the polarity and boiling point of molecules and other physical properties.
    In summary, the chemical properties of 4-bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-formonitrile are determined by the interaction of its various groups, which make it have potential applications in organic synthesis, medicinal chemistry and other fields.
    What are the synthesis methods of 4-Bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-carbonitrile
    To prepare 4-bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-formonitrile, the common synthesis methods are as follows.
    First, halogenated aromatics and pyrrole derivatives containing cyanyl groups and trifluoromethyl groups are used as starting materials. First, the halogenated aromatics and pyrrole derivatives are coupled in an organic solvent in the presence of suitable catalysts and bases. Commonly used catalysts such as palladium-based catalysts, such as tetra (triphenylphosphine) palladium; bases can be selected from potassium carbonate, sodium carbonate and the like. The reaction conditions need to be finely regulated, the temperature is usually controlled in a certain range, such as 50 ° C to 100 ° C, and the reaction time also depends on the reaction process, ranging from a few hours to ten hours. Through this reaction, the aromatic hydrocarbon is connected to the pyrrole part, and then the specific position of the pyrrole ring is brominated. Suitable brominating reagents, such as N-bromosuccinimide (NBS), can be used to complete the bromination under the action of appropriate solvents and initiators, and then the target product is obtained.
    Second, 4-chlorophenylacetonitrile is used as the starting material, and a specific functionalization reaction is carried out on it first. The nucleophilic substitution reaction occurs with the reagent containing trifluoromethyl, trifluoromethyl is introduced, and then the pyrrole ring is constructed by a suitable ring closure reaction. For example, under the action of a suitable alkyne in a catalyst, a series of reactions such as cyclic addition are formed to form a pyrrole structure. In this process, the reaction conditions, such as the type and dosage of the catalyst, the reaction temperature and time, need to be precisely controlled. After that, the generated pyrrole derivative is brominated. The method is as above, using brominating reagents such as NBS to complete the bromination, thereby obtaining 4-bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-formonitrile.
    Furthermore, using pyrrole as the starting material, the pyrrole ring is brominated first to obtain bromopyrrole derivatives. Then, 4-chlorophenyl is introduced into a specific position of the pyrrole ring by means of Fourier-gram reaction. This process requires the selection of suitable Lewis acid catalysts, such as aluminum trichloride. After that, trifluoromethyl and cyanyl groups are introduced. The introduction of trifluoromethyl can be completed by reagents containing trifluoromethyl through reactions such as nucleophilic substitution; the cyanyl group can be introduced by reacting with cyanide-containing reagents, so that the synthesis of the target product can also be achieved through multi-step reactions. The product needs to be separated and purified between each step of the reaction to ensure the smooth progress of the subsequent reaction, and the reaction conditions of each step need to be carefully considered in order to efficiently synthesize the target product.
    Where is 4-Bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-carbonitrile used?
    4 - Bromo - 2 - (4 - chlorophenyl) - 5 - (trifluoromethyl) - 1H - pyrrole - 3 - carbonitrile, this compound has applications in many fields. In the field of pharmaceutical research and development, due to its unique structure, it may be used as a key intermediate to create new drugs. Due to its specific atomic combination and spatial configuration, it may endow drugs with unique biological activities, such as antibacterial, antiviral, and anti-tumor. For example, in the development of anti-tumor drugs, the special structure of the compound may be able to precisely act on specific targets of tumor cells and interfere with the growth and proliferation of tumor cells.
    In the field of materials science, this compound also has potential value. It contains special groups such as bromine, chlorine, and trifluoromethyl, which may affect the electrical, optical, and thermal properties of materials. For example, in organic optoelectronic materials, its structural characteristics can be used to regulate the charge transport and luminescence properties of materials, and it is expected to be applied to the fabrication of organic Light Emitting Diodes (OLEDs), solar cells, and other devices to improve the performance and efficiency of these devices.
    In the field of pesticide research, the compound may exhibit biological activities such as insecticidal, bactericidal, or weeding due to its chemical structure. Through rational molecular design and modification, new pesticides with high efficiency, low toxicity and environmental friendliness can be developed to meet the needs of modern agriculture for pest control, while reducing the negative impact on the ecological environment. In short, 4 - Bromo - 2 - (4 - chlorophenyl) - 5 - (trifluoromethyl) - 1H - pyrrole - 3 - carbonitrile has shown broad application prospects and research value in many important fields such as medicine, materials, and pesticides.
    What is the market outlook for 4-Bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-carbonitrile?
    4-Bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-formonitrile, this is an organic compound. Looking at its market prospects, we should analyze it in detail from multiple aspects.
    In the field of medicine, organic compounds are often the basis for drug development. Such pyrrole derivatives containing nitrogen and halogen atoms may have unique biological activities. Today, many pharmaceutical companies are looking for compounds with novel structures to find new therapeutic targets and drugs. If this compound is proved to have affinity for specific diseases, such as tumors, inflammation and other related targets, it may be developed into new drugs. And now there are many patients with tumors, inflammation and other diseases, and the market demand is huge. If successfully developed as a drug, the market prospect is broad.
    In the field of materials science, fluorine-containing compounds often give materials special properties due to the properties of fluorine atoms. This compound contains trifluoromethyl, which may be used to develop new optoelectronic materials, high-performance polymers, etc. Today, with the rapid development of electronic equipment and display technology, the demand for high-performance materials is increasing day by day. If this compound can be modified for the preparation of optoelectronic materials with excellent performance, applied to display screens, semiconductors, etc., its market potential is immeasurable.
    However, its market prospects also pose challenges. Synthesis of this compound may require complex steps and specific conditions, and the cost may remain high. If the cost is difficult to control, it will be unfavorable for large-scale production and marketing activities. And new compounds entering the market require strict regulatory approval, especially in the field of medicine. Clinical trials are time-consuming and expensive. If the approval is blocked, it will also affect its market process.
    Overall, 4-bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-formonitrile may have considerable market prospects in the field of medicine and materials science, but it is necessary to overcome the problems of synthesis costs and regulatory approval in order to fully tap its market value.
    What are the precautions in the preparation of 4-Bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-carbonitrile
    When preparing 4-bromo-2- (4-chlorophenyl) -5- (trifluoromethyl) -1H-pyrrole-3-formonitrile, there are a number of important precautions.
    The quality of the starting material is the key. Its purity must be excellent. If there are many impurities, the reaction may generate many by-products, resulting in low yield of the target product, and the purity is difficult to guarantee. If the raw material contains some impurities, or participates in the reaction, the product composition is complicated, and subsequent purification is difficult and abnormal.
    The control of the reaction conditions needs to be accurate. Temperature is an extremely important item. This reaction can only be carried out efficiently within a specific temperature range. If the temperature is too high, the reaction may be too violent, triggering side reactions; if the temperature is too low, the reaction rate will be slow, time-consuming, and even the reaction will be difficult to occur. If the appropriate temperature for a reaction is 80-90 ° C, if it exceeds this range, the product structure may change. The reaction time cannot be ignored. If it is too short, the reaction will not be completed, and the amount of product will be small; if it is too long, the product will decompose or further react. The choice of
    solvent is related to the success or failure of the reaction. Those who need to choose the reactants and products have good solubility and have no adverse effects on the reaction. Different solvent polarities and solubility may affect the reaction rate and selectivity. If a reaction is carried out in a polar solvent and a non-polar solvent, the proportion of the product is quite different. The amount and activity of the
    catalyst cannot be ignored. An appropriate amount of catalyst can accelerate the reaction, but too much is used, or the reaction may be out of control; the activity of the catalyst is not good, and the reaction is also difficult to achieve expectations. If the catalyst with insufficient activity may make the reaction difficult to start, or cause the reaction to stagnate in the middle.
    The post-treatment process must also be cautious. Product separation and purification steps are complicated, and operations such as extraction, distillation, and recrystallization must be carried out carefully according to the characteristics of the product. Improper solvent selection during extraction, or loss of product; poor temperature and pressure control during distillation, product or volatilization or decomposition; wrong solvent ratio and temperature control during recrystallization, product purity and crystal form are affected.
    Preparation of this compound requires fine operation at every step from raw material to reaction to post-processing, and attention to all details to obtain high purity and high yield target products.