653-92-9 | Methyl 2-bromo-4-fluorobenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$16.00	$11.00
5g	97%	in stock	$25.00	$17.00
25g	97%	in stock	$26.00	$18.00

Description

• Catalog Number: AB46457
• Chemical Name: Methyl 2-bromo-4-fluorobenzoate
• CAS Number: 653-92-9
• Molecular Formula: C8H6BrFO2
• Molecular Weight: 233.0344
• MDL Number: MFCD06204026
• SMILES: COC(=O)c1ccc(cc1Br)F

Computed Properties

• Complexity: 174
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 3.6

Upstream Synthesis Route

Methyl 2-Bromo-4-fluorobenzoate is a versatile compound frequently employed in chemical synthesis due to its unique reactivity and structural characteristics. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and materials. Its strategic positioning of bromine and fluorine substituents on the benzene ring allows for the introduction of specific functional groups during reactions, enabling chemists to access novel structures and potentially enhance the properties of the final products. In synthesis, Methyl 2-Bromo-4-fluorobenzoate can participate in nucleophilic substitution, palladium-catalyzed cross-coupling reactions, and other transformations to facilitate the formation of complex molecules with desired biological or physicochemical activities. Its application extends to the production of fine chemicals and research compounds, where precise manipulation of molecular architecture is crucial for achieving targeted outcomes in the laboratory setting.