455-40-3 | 3,5-Difluorobenzoic acid

CAS:455-40-3 | 3,5-Difluorobenzoic acid,Description

3,5-Difluorobenzoic Acid is a reactant/reagent in Rh (III)-catalyzed regioselective heterocyclization of benzoic acids with acrylates to give phthalides. It forms dimers that are stabilized by hydrogen bonds between carboxyl groups.

Molecular Structure Analysis

The molecular formula of 3,5-Difluorobenzoic acid is C7H4F2O2. It forms dimers that are stabilized by hydrogen bonds between carboxyl groups. The F atoms form edges of channels that extend along.

Physical And Chemical Properties Analysis

3,5-Difluorobenzoic acid has a molecular weight of 158.10 g/mol. It has a topological polar surface area of 37.3 Ų. The exact mass and monoisotopic mass are 158.01793569 g/mol. It has a complexity of 151.

Scientific Research Applications

Specific Scientific Field

This application falls under the field of Petrochemical Exploration and Geochemical Investigations.

Summary of the Application

3,5-Difluorobenzoic acid is used as a conservative tracer in the petrochemical industry. It is added to fluids to indicate their flow path or pattern. This is particularly useful in the petroleum industry where liquids are sometimes injected into oil or gas bearing formations to enhance the production of hydrocarbons.

Methods of Application

The tracer is added to the injected solvent. The subsurface flow in the reservoir is anisotropic, and the reservoirs usually exhibit a high degree of heterogeneity, making it difficult to predict flow patterns. In such cases, tagging solvents at each injection well with a different tracer and monitoring the tracers that appear at each producing well is an adequate strategy to identify the pertinent flow paths.

Results or Outcomes

The information obtained from tracer tests are tracer response curves that may be qualitatively and quantitatively evaluated to observe breakthrough and interwell communication, or, if numerical simulations or data fitting procedures are used, to derive quantitative information on the flow behavior (e.g. velocity) in the reservoir.

2. Membrane Inlet Mass Spectrometry

Specific Scientific Field

This application falls under the field of Analytical Chemistry.

Summary of the Application

3,5-Difluorobenzoic acid is used in the on-line determination of substances in water using membrane inlet mass spectrometry with in-membrane preconcentration.

Methods of Application

The substance is detected in water using membrane inlet mass spectrometry. This involves the use of a membrane to selectively allow the passage of certain ions from a sample into the mass spectrometer.

Results or Outcomes

The method allows for the on-line determination of 3,5-difluorobenzoic acid in water.

3. Synthesis of Insecticides

Specific Scientific Field

This application falls under the field of Organic Chemistry and Agrochemicals.

Summary of the Application

3,5-Difluorobenzoic acid is used as an intermediate in the synthesis of insecticides such as acylhydrazines and methoxyfenozide.

Methods of Application

The specific methods of synthesis would depend on the particular insecticide being produced. Generally, 3,5-Difluorobenzoic acid would be used in a series of organic reactions to produce the desired insecticide.

Results or Outcomes

The outcome of this application is the production of effective insecticides that can be used in agriculture.

4. Rhodium-Catalyzed Heterocyclization

Specific Scientific Field

This application falls under the field of Organometallic Chemistry.

Summary of the Application

3,5-Difluorobenzoic acid can be used as a reactant in Rhodium (III)-catalyzed regioselective heterocyclization with acrylates to give phthalides.

Methods of Application

The reaction involves the use of a Rhodium (III) catalyst and acrylates. The 3,5-Difluorobenzoic acid reacts with the acrylates in the presence of the catalyst to form phthalides.

Results or Outcomes

The outcome of this reaction is the formation of phthalides, which are useful in various chemical syntheses.

5. Synthesis of Prostaglandins

Specific Scientific Field

This application falls under the field of Medicinal Chemistry.

Summary of the Application

3,5-Difluorobenzoic acid can be used in the synthesis of prostaglandins.

Methods of Application

The specific methods of synthesis would depend on the particular prostaglandin being produced. Generally, 3,5-Difluorobenzoic acid would be used in a series of organic reactions to produce the desired prostaglandin.

Results or Outcomes

The outcome of this application is the production of prostaglandins, which are physiologically active lipid compounds having diverse hormone-like effects in animals.

6. Synthesis of Flame Retardants

Specific Scientific Field

This application falls under the field of Material Science.

Summary of the Application

3,5-Difluorobenzoic acid can be used in the synthesis of flame retardants.

Methods of Application

The specific methods of synthesis would depend on the particular flame retardant being produced. Generally, 3,5-Difluorobenzoic acid would be used in a series of organic reactions to produce the desired flame retardant.

Results or Outcomes

The outcome of this application is the production of flame retardants, which are substances that are chemically inserted into the polymer molecule or physically blended in polymers after polymerization to suppress, reduce, delay or modify the propagation of a flame through a plastic materials.

Safety And Hazards

3,5-Difluorobenzoic acid may cause skin irritation, serious eye irritation, and respiratory irritation. It’s advised to avoid breathing dust/fume/gas/mist/vapors/spray, avoid contact with skin and eyes, and use personal protective equipment. It should be handled in a well-ventilated place.

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