1 Bromo 2 Fluoro 5 Iodo 4 Methylbenzene
Iodobenzene

1 Bromo 2 Fluoro 5 Iodo 4 Methylbenzene

Fengxi Chemical

Specifications

HS Code

973158

Name 1 - bromo - 2 - fluoro - 5 - iodo - 4 - methylbenzene
Molecular Formula C7H6BrFI
Molecular Weight 314.93
Appearance Solid (predicted)
Boiling Point 249.3 - 250.3 °C at 760 mmHg (predicted)
Melting Point 46 - 48 °C
Density 2.198 g/cm³ (predicted)
Flash Point 104.6 °C (predicted)
Water Solubility Insoluble (predicted)
Vapor Pressure 0.0235 mmHg at 25 °C (predicted)
Logp 4.41 (predicted)
Chemical Formula C7H6BrFI
Molecular Weight 316.93
Appearance Solid (predicted)
Boiling Point Predicted to be relatively high due to heavy halogens
Density Estimated to be high considering halogen content
Solubility In Water Low (non - polar due to aromatic and halogen groups)
Solubility In Organic Solvents Good solubility in non - polar organic solvents like benzene, toluene
Reactivity Reactive towards nucleophiles at the bromine, iodine positions
Polarity Polar due to presence of electronegative fluorine, bromine and iodine
Name 1-bromo-2-fluoro-5-iodo-4-methylbenzene
Molecular Formula C7H5BrFI
Molar Mass 329.92 g/mol
Appearance likely a colorless to pale yellow liquid or solid
Boiling Point estimated around a certain value (no exact data given here)
Melting Point estimated around a certain value (no exact data given here)
Density estimated around a certain value (no exact data given here)
Solubility In Water low solubility
Solubility In Organic Solvents soluble in common organic solvents like dichloromethane
Flash Point estimated around a certain value (no exact data given here)
Reactivity reactive in reactions typical for aryl halides
Name 1-bromo-2-fluoro-5-iodo-4-methylbenzene
Molecular Formula C7H5BrFI
Molecular Weight 329.92
Appearance Solid (Typical)
Boiling Point Approx. 245 - 250 °C
Melting Point 35 - 39 °C
Density 2.169 g/cm³ (Estimated)
Solubility In Water Insoluble
Solubility In Organic Solvents Soluble in common organic solvents like dichloromethane, chloroform
Flash Point Approx. 102.5 °C
Cas Number 886498-32-6
Packing & Storage
Packing 100g of 1 - bromo - 2 - fluoro - 5 - iodo - 4 - methylbenzene in a sealed glass bottle.
Storage 1 - Bromo - 2 - fluoro - 5 - iodo - 4 - methylbenzene 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 leakage and exposure to air and moisture. Store it separately from oxidizing agents and reactive chemicals to avoid potential chemical reactions.
Shipping 1 - bromo - 2 - fluoro - 5 - iodo - 4 - methylbenzene is shipped in well - sealed, corrosion - resistant containers. It's transported under conditions that avoid heat, moisture, and incompatible substances, following strict chemical shipping regulations.
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1-bromo-2-fluoro-5-iodo-4-methylbenzene 1-bromo-2-fluoro-5-iodo-4-methylbenzene 1-bromo-2-fluoro-5-iodo-4-methylbenzene
General Information
Frequently Asked Questions
What is the chemical structure of 1 - bromo - 2 - fluoro - 5 - iodo - 4 - methylbenzene?
The chemical structure of 1 + -bromo-2 + -fluoro-5 + -iodine-4 + -methylbenzene is based on the benzene ring. The benzene ring is a six-membered carbon ring, and the carbons are conjugated double bonds, showing a planar hexagonal structure, and their properties are particularly stable.
Above the benzene ring, each atom is based on different substituents. In the first position, a bromine atom is connected. In the case of bromine, the halogen element also has a large atomic radius and high electronegativity. It often has an electron-absorbing effect in the molecule, which can affect the electron cloud density distribution of the benzene ring, causing the chemical activity of the benzene ring to change.
At the second position, a fluorine atom is connected. Fluorine is also a halogen element, and its electronegativity is the crown of all elements. It is connected to the benzene ring. Due to its strong electron absorption, the electron cloud density of ortho and para-sites decreases very much, while the electron cloud density of meta-sites increases slightly, which has a deep impact on the reactivity and selectivity of the compound.
At position 5, there is an iodine atom. Although iodine is also a halogen group, its atomic radius is huge, and the electron cloud is easily polarized. Although it also has electron absorption, it is weaker than bromine and fluorine, and has its own unique performance in the spatial structure and electronic effects of molecules.
No. 4 is connected to a methyl group. The electron cloud density of the benzene ring can be increased by methyl as the power supply group, especially in the ortho and para-position. This is in opposition to the electron-absorbing effect of the halogen atom, and the two work together, resulting in complex chemical properties of the compound.
The substitution is based on the spatial distribution and electronic effects on the benzene ring, resulting in the unique chemical structure and reactivity of 1 + -bromo-2 + -fluoro-5 + -iodine-4 + -methylbenzene. It has research value and application potential in organic synthesis, pharmaceutical chemistry and other fields.
What are the physical properties of 1 - bromo - 2 - fluoro - 5 - iodo - 4 - methylbenzene?
1 + -Bromo-2 + -fluoro-5 + -iodine-4 + -methylbenzene is one of the organic compounds. It has various physical properties, which are hereby described in detail by you.
First of all, its appearance, at room temperature and pressure, this compound is mostly colorless to light yellow liquid, with a clear appearance, and some are crystalline, depending on the specific environmental conditions. This is due to the arrangement and interaction of atoms in the molecular structure, resulting in such an appearance under normal conditions.
When it comes to melting point, the melting point of 1 + -bromo-2 + -fluoro-5 + -iodine-4 + -methylbenzene is within a specific range. Due to the existence of intermolecular forces, including van der Waals forces and the weak interactions between halogen atoms and methyl groups, molecules can overcome these forces at a certain temperature and convert from solid to liquid. This melting point value can be used as an important physical indicator for the identification of this compound, and is of great significance in the actual operation of separation, purification and storage of substances.
The boiling point is also one of its key physical properties. The boiling point of 1 + -bromo-2 + -fluoro-5 + -iodine-4 + -methylbenzene is also in a specific range. The level of boiling point is closely related to the strength of intermolecular forces. The presence of bromine, fluorine, iodine and other halogen atoms in the molecule increases the polarity of the molecule and enhances the interaction between molecules, resulting in a higher temperature required for the molecule to obtain enough energy, break free from the liquid phase binding, convert to the gas phase, and then boil.
In terms of solubility, this compound exhibits a certain solubility in organic solvents. Due to the lipophilicity of halogen atoms and methyl groups in the molecular structure, it can be mixed with solvent molecules through molecular interactions such as van der Waals force, dipole-dipole interaction, etc., while its solubility in water is relatively poor. This solubility property has important application value in many fields such as organic synthesis, extraction and separation.
The density is also a significant physical property of 1 + -bromo-2 + -fluoro-5 + -iodine-4 + -methylbenzene. Its density is higher than that of water. Due to the large atomic weight of halogen atoms in the molecule, especially iodine atoms, the mass of the substance per unit volume increases. This density characteristic can be an important reference for practical operations such as liquid-liquid separation.
In summary, the physical properties of 1 + -bromo-2 + -fluoro-5 + -iodine-4 + -methylbenzene are closely related to its molecular structure and play an indispensable role in many chemical fields.
What are the main uses of 1 - bromo - 2 - fluoro - 5 - iodo - 4 - methylbenzene?
1-Bromo-2-fluoro-5-iodine-4-methylbenzene, an organic compound, has a wide range of uses in the field of organic synthesis. Its main uses can be divided into the following ends:
First, it is a key intermediate in organic synthesis. In the synthesis of fine chemical products, it can be converted into other functional compounds by many chemical reactions, such as nucleophilic substitution and coupling reactions. Taking the nucleophilic substitution reaction as an example, its bromine, fluorine and iodine atoms have certain activities and can be replaced by various nucleophilic reagents, and then different functional groups can be introduced to lay the foundation for the construction of complex organic molecules. In the field of pharmaceutical synthesis, it may generate compounds with specific pharmacological activities through a series of reactions, and after modification and modification, it is expected to become new drugs.
Second, in the field of materials science, it can be used as raw materials for the preparation of special materials. Because the molecule contains a variety of halogen atoms and methyl groups, it endows the molecule with unique physical and chemical properties. By integrating it into polymer materials by appropriate methods, it may improve the electrical, optical and thermal properties of the material. For example, introducing it into the polymer system may improve the flame retardancy and weather resistance of the material.
Third, it also has potential value in pesticide synthesis. With its special molecular structure, rational design and reaction, pesticides with high insecticidal, bactericidal and herbicidal activities may be synthesized. Due to the presence of halogen atoms, it may enhance the affinity and effect of compounds on specific biological targets, thereby enhancing the efficacy of pesticides.
1-Bromo-2-fluoro-5-iodine-4-methylbenzene, as an important intermediate in organic synthesis, has broad application prospects in many fields such as medicine, materials, and pesticides, and is of great significance to promote the development of related fields.
What are the common reactions of 1 - bromo - 2 - fluoro - 5 - iodo - 4 - methylbenzene in synthesis?
In the synthesis of 1 + -bromo-2-fluoro-5-iodine-4-methylbenzene, there are several common reactions:
One is the nucleophilic substitution reaction. Due to the different activities of halogen atoms, bromine, fluorine, and iodine can all be used as leaving groups. Attacking with nucleophilic reagents, such as alkoxides, amines, etc., halogen atoms will be replaced by nucleophilic groups. For example, the alkoxides react with 1 + -bromo-2-fluoro-5-iodine-4-methylbenzene, the halogen atoms leave, and the alkoxy groups are connected to form new compounds containing oxygen. This reaction condition often requires base catalysis and is carried out in suitable solvents.
The second is a metal-catalyzed coupling reaction. Under the action of metal catalysts such as palladium and nickel, it can be coupled with metal-containing organic reagents. For example, Suzuki coupling reaction with organoboronic acid can form new carbon-carbon bonds and form aromatic derivatives with more complex structures. This reaction requires the assistance of specific ligands and can occur smoothly in mild bases and suitable solvents.
The third is the electrophilic substitution reaction of aromatic hydrocarbons. The benzene ring has an electron cloud and can undergo electrophilic substitution. Since the methyl group is the power supply, the density of the electron cloud of the benzene ring will increase. Electrophilic reagents will preferentially attack the ortho and para-positions of methyl groups. For example, when nitrification occurs, nitro groups will selectively enter the ortho and para-positions of methyl groups to form corresponding nitro substitutions.
The fourth is the reduction reaction of halogen atoms. With the help of suitable reducing agents, such as lithium aluminum hydride, halogen atoms can be reduced to hydrogen atoms to obtain methyl benzene derivatives. This reaction condition requires an anhydrous environment, and the amount of reducing agent and reaction temperature are strictly controlled.
What are the preparation methods of 1 - bromo - 2 - fluoro - 5 - iodo - 4 - methylbenzene?
The preparation method of 1 + -bromo-2 + -fluoro-5 + -iodine-4 + -methylbenzene is a key issue in the field of organic synthesis. There are many methods, each with its own advantages, which are described in detail below.
First, using aromatic hydrocarbons as starting materials, the halogenation reaction method is carried out. First, under specific conditions, toluene and brominated reagents such as bromine can be introduced into bromine atoms at specific positions in the benzene ring under catalysis such as iron filings or iron tribromide to obtain bromotoluene derivatives. Then, with specific fluorinated reagents such as potassium fluoride, with the help of a phase transfer catalyst, a nucleophilic substitution reaction is performed to replace the halogen atoms at specific positions with fluorine atoms. Finally, suitable iodizing reagents such as iodine elemental substance and appropriate oxidant are selected. Under suitable reaction conditions, iodine atoms are introduced into the designated part of the benzene ring, and the target product 1 + -bromo-2 + -fluoro-5 + -iodine-4 + -methylbenzene is obtained through multi-step reaction. There are many steps in this route, but each step is relatively mature and the yield is considerable.
Second, it is prepared by coupling reaction catalyzed by transition metals. First, aromatic derivatives containing different substituents, such as aromatic hydrocarbons containing bromine, aromatic hydrocarbons containing fluorine and aromatic hydrocarbons containing iodine, are synthesized separately. Then, under the action of transition metal catalysts such as palladium catalysts, the fragments are cleverly connected through coupling reactions such as Suzuki coupling reaction and Ullmann reaction. For example, using aromatics containing bromine and methyl and fluoroborate derivatives in palladium catalysts, bases and suitable solvent systems, Suzuki coupling reaction occurs to obtain aromatic hydrocarbons containing bromine, fluorine and methyl. Then this intermediate is suitably reacted with iodine-containing reagents to achieve the introduction of iodine atoms, so as to obtain the target product. This method relies on transition metal catalysis, the reaction conditions are relatively mild, and the selectivity is high. It can accurately construct the target molecular structure and is widely used in the synthesis of complex organic molecules.
Third, the diazonium salt reaction strategy is used. Methylaniline is taken as the starting material and converted into diazonium salt through diazotization reaction. After that, it reacts with cuprous bromide, cuprous fluoride, cuprous iodide and other cuprous halides to introduce bromine, fluorine and iodine atoms in sequence, and then obtains 1 + -bromo-2 + -fluoro-5 + -iodine-4 + -methylbenzene. The method has relatively compact steps and high reactivity of diazonium salts, which can effectively realize the introduction of halogen atoms on the benzene ring, but the stability of diazonium salts is poor. Special attention should be paid to the control of reaction conditions during operation to ensure the safety and yield of the reaction.