883499-24-9 | 2-Chloro-3-fluorobromobenzene

CAS:883499-24-9 | 2-Chloro-3-fluorobromobenzene,Description

1-Bromo-2-chloro-3-fluorobenzene is a polyhalo substituted benzene. It has a molecular formula of CHBrClF, an average mass of 209.443 Da, and a monoisotopic mass of 207.909058 Da.

Molecular Structure Analysis

The molecular structure of 1-Bromo-2-chloro-3-fluorobenzene consists of a benzene ring with bromine, chlorine, and fluorine substituents. The exact positions of these substituents can be determined by the IUPAC naming convention.

Chemical Reactions Analysis

1-Bromo-2-chloro-3-fluorobenzene can participate in various chemical reactions. For instance, it can undergo Suzuki coupling with 2-cyanoarylboronic esters to form the corresponding biphenyls. These biphenyls are precursors for synthesizing 6-substituted phenanthridines.

Physical And Chemical Properties Analysis

1-Bromo-2-chloro-3-fluorobenzene has a density of 1.7±0.1 g/cm³, a boiling point of 197.9±20.0 °C at 760 mmHg, and a vapor pressure of 0.5±0.4 mmHg at 25°C. It has an enthalpy of vaporization of 41.6±3.0 kJ/mol and a flash point of 73.5±21.8 °C. The index of refraction is 1.551.

Scientific Research Applications

Application 1: Synthesis of Functional Materials

• Summary of the Application : 1-Bromo-2-chloro-3-fluorobenzene is used as a precursor for the synthesis of functional materials.
• Results or Outcomes : The outcomes can also vary widely, but the end result is typically a functional material with specific properties, such as liquid crystals, polymers, and dyes.

Application 2: Reaction with Cyclopenta-1,3-diene

• Summary of the Application : 1-Bromo-2-chloro-3-fluorobenzene is used as a reactant with cyclopenta-1,3-diene to produce 1,4-dihydro-1,4-methano-naphthalene.
• Methods of Application : This reaction requires the reagent magnesium and the solvent diethyl ether. The reaction time is 3 hours at a temperature of 20°C.
• Results or Outcomes : The outcome of this reaction is the production of 1,4-dihydro-1,4-methano-naphthalene.

Application 3: Synthesis of Pharmaceutical Compounds

• Summary of the Application : 1-Bromo-2-chloro-3-fluorobenzene is used as a building block for the preparation of various drugs, including antiviral agents, anti-inflammatory drugs, and anticancer agents.
• Results or Outcomes : The outcomes can also vary widely, but the end result is typically a pharmaceutical compound with specific therapeutic properties.

Application 4: Solvent in Synthetic Chemistry

• Summary of the Application : 1-Bromo-2-chloro-3-fluorobenzene is generally used as a solvent in synthetic chemistry.
• Methods of Application : It is used as a medium for chemical reactions, helping to dissolve reactants and control the temperature of the reaction.
• Results or Outcomes : The use of 1-Bromo-2-chloro-3-fluorobenzene as a solvent can facilitate chemical reactions and improve the efficiency of the synthesis process.

Application 5: Synthesis of Fluorinated Building Blocks

• Summary of the Application : 1-Bromo-2-chloro-3-fluorobenzene is used in the synthesis of fluorinated building blocks.
• Results or Outcomes : The outcomes can also vary widely, but the end result is typically a fluorinated compound with specific properties.

Application 6: 9 F NMR Analysis

• Summary of the Application : 1-Bromo-2-chloro-3-fluorobenzene was used in the 9 F NMR analysis of conversion of 3,4-fluoro- and 3-chloro-4-fluoroaniline by Rhodococcus sp. strain.
• Methods of Application : This involves the use of 9 F NMR spectroscopy to analyze the conversion of these compounds.
• Results or Outcomes : The outcome of this analysis is the identification of the conversion products of these compounds.

Safety And Hazards

1-Bromo-2-chloro-3-fluorobenzene is classified as a flammable liquid and can cause skin irritation, serious eye irritation, and respiratory irritation. It is recommended to avoid dust formation, breathing mist, gas or vapors, and contact with skin and eyes. Personal protective equipment, including dust masks, eyeshields, and gloves, should be used.

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