1204304-98-2 | Methyl 2-bromo-5-fluoro-4-methylbenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$66.00	$47.00
5g	97%	in stock	$125.00	$88.00
25g	97%	in stock	$620.00	$434.00

Description

• Catalog Number: AI12990
• Chemical Name: Methyl 2-bromo-5-fluoro-4-methylbenzoate
• CAS Number: 1204304-98-2
• Molecular Formula: C9H8BrFO2
• Molecular Weight: 247.061
• MDL Number: MFCD28739724
• SMILES: COC(=O)c1cc(F)c(cc1Br)C

Computed Properties

• Complexity: 198
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 2.9

Upstream Synthesis Route

Methyl 2-bromo-5-fluoro-4-methylbenzoate is a valuable chemical compound commonly used in organic synthesis for its diverse applications. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and advanced materials due to its versatile reactivity and unique structural properties. In chemical synthesis, Methyl 2-bromo-5-fluoro-4-methylbenzoate functions as a crucial intermediate in the preparation of complex organic molecules, where its bromo and fluoro substituents play significant roles in facilitating further transformations through substitution, elimination, and coupling reactions. Specifically, its ability to undergo selective functional group transformations makes it a highly sought-after reagent in the development of new synthetic pathways and the modification of existing chemical structures. Additionally, the presence of the methyl ester functionality in Methyl 2-bromo-5-fluoro-4-methylbenzoate imparts enhanced stability and compatibility for various chemical reactions, making it an essential component in the synthesis of diverse compounds with enhanced biological activities and material properties.