392-09-6 | METHYL 2-FLUORO-4-NITROBENZENECARBOXYLATE

CAS:392-09-6 | METHYL 2-FLUORO-4-NITROBENZENECARBOXYLATE,Description

Methyl 2-fluoro-4-nitrobenzoate is a fluorinated building block compound with the molecular formula C8H6FNO4 and a molecular weight of 199.14.

Molecular Structure Analysis

The molecular structure of Methyl 2-fluoro-4-nitrobenzoate consists of 8 carbon atoms, 6 hydrogen atoms, 1 fluorine atom, 1 nitrogen atom, and 4 oxygen atoms. The exact 3D structure can be viewed using specialized software or online databases.

Physical And Chemical Properties Analysis

Methyl 2-fluoro-4-nitrobenzoate has a density of 1.4±0.1 g/cm3, a boiling point of 314.6±32.0 °C at 760 mmHg, and a flash point of 144.1±25.1 °C. It has a molar refractivity of 44.6±0.3 cm3, and its polar surface area is 72 Å2.

Scientific Research Applications

Synthesis and Chemical Transformations

• Synthesis of Derivatives : Methyl 2-fluoro-4-nitrobenzoate is utilized in the synthesis of various chemical compounds. For example, Xu, Xu, and Zhu (2013) demonstrated its use in synthesizing 4-amino-2-fluoro-N-methyl-benzamide through a process involving oxidation, chlorination, amination, and hydrogenation (Xu, Xu, & Zhu, 2013).
• Building Block in Solid-Phase Synthesis : Křupková et al. (2013) described the use of a related compound, 4-Chloro-2-fluoro-5-nitrobenzoic acid, as a multireactive building block for solid-phase synthesis of various heterocyclic scaffolds, highlighting its versatility in the preparation of different nitrogenous cycles (Křupková et al., 2013) .

Analytical Applications

• Fluorescent Labeling in High-Performance Liquid Chromatography : Watanabe and Imai (1981) used 7-Fluoro-4-nitrobenzo-2-oxa-1,3-diazole, a related compound, as a fluorescent labeling reagent in high-performance liquid chromatography for the sensitive detection of amino acids, demonstrating its application in analytical chemistry (Watanabe & Imai, 1981).

Pharmacological Research

• Synthesis of Bioactive Compounds : The compound's derivatives play a role in pharmacological research. For instance, Wang et al. (2014) synthesized a fluorine-18-labeled analogue of bexarotene, a medication used for skin lymphoma, for PET imaging of the retinoid X receptor, highlighting its potential in medical imaging research (Wang et al., 2014).

Safety And Hazards

Methyl 2-fluoro-4-nitrobenzoate is harmful if swallowed, causes skin irritation, serious eye irritation, and may cause respiratory irritation. In case of contact with skin or eyes, it is advised to wash with copious amounts of water and seek medical attention. In case of inhalation, move the person to fresh air and seek medical attention if symptoms persist.

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