176548-70-2 | 3-Bromo-5-fluorobenzoic acid

CAS:176548-70-2 | 3-Bromo-5-fluorobenzoic acid,Description

3-Bromo-5-fluorobenzoic acid is a halogenated benzoic acid derivative that is of interest in various fields of chemistry and materials science. It is an important intermediate for organic synthesis and has been utilized in the construction of complex molecules and materials.

Synthesis Analysis

The synthesis of halogenated benzoic acids and their derivatives is a topic of ongoing research. For instance, the synthesis of related compounds such as 3-borono-5-fluorobenzoic acid involves a two-step reaction process, starting with an organic lithium reagent to produce (3-fluoro-5-methylphenyl) boronic acid, followed by oxidation to yield the target product. Similarly, the synthesis of 3,5-dibromo-4-fluorobenzoic acid and its derivatives has been achieved, indicating the feasibility of synthesizing halogenated benzoic acids with different substituents.

Molecular Structure Analysis

The molecular structure of halogenated benzoic acids can significantly influence their properties and interactions. For example, the uranyl coordination polymer featuring 3-bromo-5-iodobenzoic acid demonstrates how halogen-bonding interactions with uranyl oxo atoms can be exploited to form supramolecular networks. Additionally, the structural diversity observed in rare-earth p-bromobenzoic acid complexes highlights the impact of halogen substituents on the coordination environment and supramolecular assembly.

Chemical Reactions Analysis

Halogenated benzoic acids participate in various chemical reactions. The free radical reactions involving 2-bromobenzoic acids as building blocks for spiro compounds showcase the reactivity of such compounds in constructing complex molecular architectures. Moreover, the regioselective bromocyclization of 2-alkynylbenzoic acids to form 3-(bromomethylene)isobenzofuran-1(3H)-ones demonstrates the potential for halogenated benzoic acids to undergo cyclization reactions.

Physical and Chemical Properties Analysis

The physical and chemical properties of 3-bromo-5-fluorobenzoic acid derivatives are influenced by the presence of halogen atoms. For instance, the luminescent and vibrational properties of uranyl hybrid materials containing halogenated benzoic acids are altered due to halogen-bonding interactions. The luminescence properties of rare-earth hybrid materials also depend on the specific halogen substituents present in the benzoic acid ligands. Furthermore, the radiographic opaque properties of certain fluoro-bromo benzoic acid derivatives suggest potential applications in medical imaging.

Scientific Research Applications

• Organic Synthesis : This compound serves as an important raw material and intermediate in organic synthesis. It can be used to synthesize more complex organic molecules, contributing to the development of new substances and materials.
• Pharmaceuticals : In the pharmaceutical industry, 3-Bromo-5-fluorobenzoic acid can be used in the synthesis of various drugs. Its specific applications in this field would depend on the particular drug being synthesized.
• Agrochemicals : This compound can also be used in the production of agrochemicals. These are chemicals, such as pesticides and fertilizers, used in agriculture to enhance crop yield and protect crops from pests.
• Dyestuff Fields : 3-Bromo-5-fluorobenzoic acid can be used in the production of dyes. These dyes can be used in various industries, including textiles, plastics, and printing.
• Organic Synthesis : This compound serves as an important raw material and intermediate in organic synthesis. It can be used to synthesize more complex organic molecules, contributing to the development of new substances and materials.
• Pharmaceuticals : In the pharmaceutical industry, 3-Bromo-5-fluorobenzoic acid can be used in the synthesis of various drugs. Its specific applications in this field would depend on the particular drug being synthesized.
• Agrochemicals : This compound can also be used in the production of agrochemicals. These are chemicals, such as pesticides and fertilizers, used in agriculture to enhance crop yield and protect crops from pests.
• Dyestuff Fields : 3-Bromo-5-fluorobenzoic acid can be used in the production of dyes. These dyes can be used in various industries, including textiles, plastics, and printing.

Safety And Hazards

3-Bromo-5-fluorobenzoic acid is classified as causing skin irritation, serious eye irritation, and may cause respiratory irritation. Safety measures include avoiding breathing its dust, mist, gas, or vapors, avoiding contact with skin and eyes, and using personal protective equipment.

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