4519-40-8 | 2,3-Difluoroaniline

CAS:4519-40-8 | 2,3-Difluoroaniline,Description

Synthesis Analysis

The synthesis of 2,3-Difluoroaniline and its derivatives involves several chemical reactions, utilizing different starting materials and conditions to achieve the desired fluorinated anilines. While specific synthesis routes for 2,3-Difluoroaniline were not directly mentioned, the synthesis of related difluoroaniline derivatives, such as 3,4-difluoroaniline, has been achieved through reactions starting from convenient initial reagents like difluoroaniline itself, demonstrating the versatility and reactivity of difluoroanilines in chemical synthesis (Gataullin et al., 1999).

Molecular Structure Analysis

The molecular and electronic structures of 2,3-Difluoroaniline have been thoroughly investigated, revealing insights into its geometric and electronic properties. Studies have utilized spectroscopic methods and theoretical calculations to analyze the vibrational modes, molecular electrostatic potential surface, and reactivity descriptors. For instance, the structural and spectroscopic characteristics of difluoroanilines, including their vibrational analysis and molecular structure, have been explored using both experimental and theoretical approaches. These studies help in understanding the effects of fluorine substitution on the aromatic ring and provide a detailed analysis of the molecule's stability, reactivity, and electronic properties (Pathak et al., 2014) .

Chemical Reactions and Properties

2,3-Difluoroaniline participates in various chemical reactions, leveraging its fluorine substituents and amine group. The fluorine atoms significantly influence the molecule's reactivity, making it a valuable intermediate for synthesizing complex organic compounds. The chemical properties of difluoroanilines, including their reactivity and potential in forming diverse chemical structures, are crucial for developing new materials and pharmaceuticals.

Physical Properties Analysis

The physical properties of 2,3-Difluoroaniline, such as melting and boiling points, solubility, and density, are determined by its molecular structure. The presence of fluorine atoms affects these properties by altering the molecule's polarity and intermolecular interactions. Understanding these properties is essential for handling the compound and predicting its behavior in different environments.

Chemical Properties Analysis

The chemical properties of 2,3-Difluoroaniline, including acidity, basicity, and reactivity towards various reagents, are influenced by the electronegative fluorine atoms attached to the aromatic ring. These atoms affect the electron distribution within the molecule, impacting its reactivity patterns in nucleophilic and electrophilic reactions. Studies on difluoroanilines provide insights into their reactivity, stability, and applications in synthesis (Kose et al., 2015).

Scientific Research Applications

• Summary of the Application: 2,3-Difluoroaniline is used as a fluorine-containing additive to improve the performance of perovskite solar cells. These additives enhance both efficiency and stability of the solar cells due to their unique hydrophobic properties, effective defect passivation, and regulation capability on the crystallization process.
• Methods of Application or Experimental Procedures: Fluoroalkyl ethylene with different fluoroalkyl chain lengths (CH 2 CH(CF 2) n CF 3, n = 3, 5, and 7) as liquid additives is used to investigate influences of fluoroalkyl chain lengths on crystallization regulation and defect passivation. The findings indicate that optimizing the quantity of F groups plays a crucial role in regulating the electron cloud distribution within the additive molecules.
• Results or Outcomes: This optimization fosters strong hydrogen bonds and coordination effects with FA + and uncoordinated Pb 2+, ultimately enhancing crystal quality and device performance. Notably, 1H,1H,2H-perfluoro-1-hexene (PF 3) with the optimal number of F presents the most effective modulation effect. A PSC utilizing PF 3 achieves an efficiency of 24.05%, and exhibits exceptional stability against humidity and thermal fluctuations.

Safety And Hazards

2,3-Difluoroaniline is classified as having acute toxicity, both orally and dermally, and can cause skin and eye irritation. It may also cause respiratory irritation. Safety measures include avoiding dust formation, avoiding breathing mist, gas or vapours, avoiding contact with skin and eye, using personal protective equipment, wearing chemical impermeable gloves, ensuring adequate ventilation, removing all sources of ignition, and evacuating personnel to safe areas.

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