79562-49-5 | 1,3-difluoro-2-methyl-4-nitrobenzene

CAS:79562-49-5 | 1,3-difluoro-2-methyl-4-nitrobenzene,Description

1,3-Difluoro-2-methyl-4-nitrobenzene is a chemical compound with the molecular formula C₇H₅F₂NO₂ . It is also known by its CAS number: 79562-49-5 . This compound belongs to the class of aromatic nitro compounds and contains both fluorine and nitro functional groups. Its IUPAC name is 1,3-difluoro-2-methyl-4-nitrobenzene .

Synthesis Analysis

The synthesis of 1,3-Difluoro-2-methyl-4-nitrobenzene involves starting from 2,6-difluorotoluene . This intermediate undergoes specific reactions to introduce the nitro group at the desired position. The exact synthetic pathway may vary, but it typically includes nitration and subsequent purification steps .

Molecular Structure Analysis

The molecular structure of 1,3-Difluoro-2-methyl-4-nitrobenzene consists of a benzene ring substituted with two fluorine atoms (at positions 1 and 3) and a methyl group (at position 2). The nitro group is attached to position 4. The compound’s three-dimensional arrangement influences its reactivity and properties .

Chemical Reactions Analysis

• Nucleophilic Reactions : The fluorine atoms can participate in nucleophilic substitution reactions .

Physical And Chemical Properties Analysis

• Appearance : Colorless to pale yellow crystals .

Scientific Research Applications

Electronic Properties and Interaction Studies

• Temporary Anion States and Dissociative Electron Attachment : The electronic properties of nitrobenzene derivatives, including 1,3-difluoro-2-methyl-4-nitrobenzene, have been studied using electron transmission spectroscopy (ETS), dissociative electron attachment spectroscopy (DEAS), and negative ion mass spectrometry (NIMS). These studies help in understanding the energy states and electron attachment processes in these compounds (Asfandiarov et al., 2007).

Chemical Synthesis and Reactions

• Nucleophilic Substitution Reactions : Research on the nucleophilic substitution reactions of nitrobenzene derivatives, like 1,3-difluoro-2-methyl-4-nitrobenzene, reveals insights into their chemical reactivity and potential applications in synthetic chemistry. This includes studies on the reactivity with various agents and the formation of different products (Hogg & Robertson, 1979).
• Methylation of Nitrobenzenes : The mechanism of methylation of nitrobenzenes, including derivatives like 1,3-difluoro-2-methyl-4-nitrobenzene, has been explored. This research is crucial for understanding the chemical pathways and potential for creating various substituted nitrobenzenes (Haiss & Zeller, 2011) .
• Rearrangement of Nitrated Hydrocarbons : Studies on the rearrangement of nitrated hydrocarbons, including 1,3-difluoro-2-methyl-4-nitrobenzene, in various chemical environments provide insight into the structural changes and potential applications in complex chemical synthesis (Bullen, Ridd & Sabek, 1953).

Photophysical Studies

• Complex Photophysics of Nitroaromatic Compounds : The study of the photophysical properties of nitrobenzene, which can be extrapolated to its derivatives such as 1,3-difluoro-2-methyl-4-nitrobenzene, is crucial for understanding their behavior under various light conditions. This research has implications for their use in photochemistry and related applications (Giussani & Worth, 2017).

Environmental and Pollution Studies

• Reduction in Wastewater : Research on the reduction of nitrobenzene in synthetic wastewater is relevant for environmental applications, particularly for derivatives like 1,3-difluoro-2-methyl-4-nitrobenzene. This typeof research helps in understanding how these compounds can be treated or reduced in industrial processes to mitigate environmental impact (Mantha, Taylor, Biswas & Bewtra, 2001).

Structural Analysis and Physical Properties

• Internal Rotation Potential and Structure Studies : The study of internal rotation potential and structure of fluorine substituted nitrobenzenes, including variants like 1,3-difluoro-2-methyl-4-nitrobenzene, provides valuable information on their physical properties. This research is significant for applications that require specific structural configurations or physical characteristics (Larsen & Nielsen, 2014).
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Sensor and Detection Applications

• Luminescent Sensor Development : Research on metal-organic frameworks (MOFs) as luminescent sensors for nitrobenzene and related compounds, including 1,3-difluoro-2-methyl-4-nitrobenzene, highlights the potential of these compounds in sensing and detection technologies. These studies contribute to the development of highly selective and sensitive sensors for various applications (Yang et al., 2017).

Magnetic and Thermal Analysis

• Magnetic Properties and Thermal Analysis : The exploration of magnetic properties and thermal behavior of complexes involving nitrobenzene derivatives, like 1,3-difluoro-2-methyl-4-nitrobenzene, provides insight into their potential use in magnetic and thermal applications. This research is significant for developing materials with specific magnetic or thermal properties (Ahmadi & Amani, 2012).

Safety And Hazards

• MSDS : Detailed safety information can be found in the Material Safety Data Sheet (MSDS).

Future Directions

Research on 1,3-Difluoro-2-methyl-4-nitrobenzene continues to explore its applications in organic synthesis, pharmaceuticals, and materials science. Investigating novel reactions and optimizing its synthesis pathways may lead to valuable derivatives and applications .

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