2-Bromo-4-fluoro-5-(methyloxy)aniline
[CAS# 420786-92-1]

Identification

• Classification: Organic raw materials >> Aryl compounds >> Anilines
• Name: 2-Bromo-4-fluoro-5-(methyloxy)aniline
• Synonyms: 6-Bromo-4-fluoro-3-methoxyaniline
• Molecular Formula: C₇H₇BrFNO
• Molecular Weight: 220.04
• CAS Registry Number: 420786-92-1
• SMILES: COC1=C(C=C(C(=C1)N)Br)F

Properties

• Solubility: Very slightly soluble (0.31 g/L) (25 ºC), Calc.^*
• Density: 1.616±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*
• Boiling point: 290.6±35.0 ºC (760 Torr), Calc.^*
• Flash point: 129.6±25.9 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2013 ACD/Labs)

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P305+P351+P338

Discovory and Applicatios

2-Bromo-4-fluoro-5-(methyloxy)aniline is a chemical compound discovered through organic synthesis methodologies. Its discovery likely involved the strategic combination of various chemical reactions to introduce bromine, fluorine, and a methoxy group onto an aniline molecule. This compound falls within the category of substituted anilines, which are commonly utilized as intermediates in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. The discovery process may have been driven by the need for novel chemical intermediates with specific substitution patterns, allowing for the creation of diverse molecular architectures.

2-Bromo-4-fluoro-5-(methyloxy)aniline serves as a valuable intermediate in pharmaceutical synthesis. It can be utilized in the construction of molecular scaffolds for the development of new drug candidates. By incorporating this compound into target molecules, medicinal chemists can modulate their physicochemical properties and enhance their biological activities. The presence of bromine, fluorine, and a methoxy group in its structure can impart specific pharmacological properties to the resulting pharmaceutical compounds, making them potentially useful in the treatment of various diseases.

In the field of agrochemicals, 2-Bromo-4-fluoro-5-(methyloxy)aniline finds applications as a precursor in the synthesis of pesticide and herbicide intermediates. These intermediates are essential for the production of agrochemicals aimed at protecting crops from pests, diseases, and weeds. By incorporating this compound into the structure of pesticide molecules, chemists can tailor their properties to improve efficacy and reduce environmental impact. The resulting agrochemicals contribute to sustainable agriculture by promoting crop health and increasing yields.

2-Bromo-4-fluoro-5-(methyloxy)aniline is also used in the synthesis of specialty chemicals, including dyes, pigments, and fine chemicals. Its unique chemical structure allows for the modification of molecular properties to achieve desired functionalities. This compound can serve as a building block for the creation of complex organic molecules with specific properties, catering to the needs of various industries such as textiles, coatings, and electronics. Its versatility makes it indispensable for creating materials with specific functionalities, meeting the diverse needs of different sectors.