403-16-7 | 3-Chloro-4-fluorobenzoic acid

CAS:403-16-7 | 3-Chloro-4-fluorobenzoic acid,Description

3-Chloro-4-fluorobenzoic acid is a chemical compound with the formula C7H4ClFO2. It is a white to light yellow crystal powder. This compound is used as a reactant in the structure-activity relationship study on substituted 1-Benzyl-5-phenyltetrazole P2X7 Antagonists.

Molecular Structure Analysis

The molecular structure of 3-Chloro-4-fluorobenzoic acid consists of a benzene ring substituted with a chlorine atom, a fluorine atom, and a carboxylic acid group. The molecular weight is 174.557.

Physical And Chemical Properties Analysis

3-Chloro-4-fluorobenzoic acid is a white to light yellow crystal powder. It has a melting point of 133-135 °C (lit.). The molecular formula is C7H4ClFO2 and the molecular weight is 174.56.

Scientific Research Applications

General Uses

3-Chloro-4-fluorobenzoic Acid is a useful research chemical compound. It’s often used as a reactant in various chemical reactions due to its structure and properties.

Specific Application: Structural Aspects Study

• Scientific Field: Chemistry

Application: Synthesis of 6-Hydroxy Albaconazole

• Scientific Field: Pharmaceutical Chemistry
• Summary of the Application: 3-Chloro-4-fluorobenzoic Acid is used as a precursor in the synthesis of 6-Hydroxy Albaconazole. Albaconazole is an antifungal agent.
• Results or Outcomes: The outcome of this process is the production of 6-Hydroxy Albaconazole, a metabolite of Albaconazole.

Application: Structure-Activity Relationship Study on Substituted 1-Benzyl-5-phenyltetrazole P2X7 Antagonists

• Scientific Field: Medicinal Chemistry
• Summary of the Application: 3-Chloro-4-fluorobenzoic Acid is used as a reactant in the structure-activity relationship study on substituted 1-Benzyl-5-phenyltetrazole P2X7 Antagonists.
• Results or Outcomes: The outcome of this study would be a better understanding of the structure-activity relationships of these compounds, which could inform the development of new drugs.

Application: Synthesis of Fluorinated Building Blocks

• Scientific Field: Organic Chemistry
• Summary of the Application: 3-Chloro-4-fluorobenzoic Acid is used as a precursor in the synthesis of fluorinated building blocks. These building blocks are often used in the synthesis of more complex organic compounds.
• Results or Outcomes: The outcome of this process is the production of fluorinated building blocks, which can be used in further organic synthesis.

Application: Mass Spectrometry Studies

• Scientific Field: Analytical Chemistry
• Summary of the Application: 3-Chloro-4-fluorobenzoic Acid has been studied using mass spectrometry. This technique is used to determine the mass-to-charge ratio of ions, which can provide information about the structure and composition of the compound.
• Methods of Application or Experimental Procedures: The compound is ionized and then analyzed using a mass spectrometer. The resulting spectrum can be used to infer details about the compound’s structure.
• Results or Outcomes: The outcome of this study would be a better understanding of the structure and properties of 3-Chloro-4-fluorobenzoic Acid.

Safety And Hazards

3-Chloro-4-fluorobenzoic acid may cause skin irritation, serious eye irritation, and may cause respiratory irritation. It is recommended to avoid breathing dust/fume/gas/mist/vapours/spray, avoid contact with skin and eyes, and use personal protective equipment.

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