117738-74-6 | Methyl 4-bromo-3-chlorobenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$7.00	$5.00
5g	97%	in stock	$26.00	$18.00
25g	97%	in stock	$128.00	$89.00
100g	97%	in stock	$508.00	$355.00

Description

• Catalog Number: AE09457
• Chemical Name: Methyl 4-bromo-3-chlorobenzoate
• CAS Number: 117738-74-6
• Molecular Formula: C8H6BrClO2
• Molecular Weight: 249.489
• MDL Number: MFCD11045619
• SMILES: COC(=O)c1ccc(c(c1)Cl)Br

Computed Properties

• Complexity: 174
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 3.1

Upstream Synthesis Route

Methyl 4-bromo-3-chlorobenzoate, also known as ABC ester, is a versatile compound widely used in chemical synthesis as a key intermediate for the preparation of various organic compounds. The presence of both bromine and chlorine substituents on the benzene ring confers unique reactivity and enables the compound to participate in a range of synthetic reactions. One common application of Methyl 4-bromo-3-chlorobenzoate is in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. The strategic positioning of the bromine and chlorine atoms allows for selective transformations, facilitating the introduction of diverse functional groups or structural motifs into the target molecules. This compound serves as an essential building block in the construction of complex molecular structures, enabling chemists to access a wide array of bioactive compounds with tailored properties.Moreover, Methyl 4-bromo-3-chlorobenzoate finds utility in the preparation of advanced materials, such as polymers, liquid crystals, and dyes. By incorporating this compound into the molecular design, researchers can modulate the physicochemical properties of the resulting materials, including solubility, optical properties, and thermal stability. The compatibility of ABC ester with various synthetic methodologies further enhances its value as a versatile precursor for material science applications.In summary, Methyl 4-bromo-3-chlorobenzoate plays a critical role in modern chemical synthesis, offering chemists a powerful tool for the efficient construction of diverse organic molecules with tailored properties and functionalities. Its strategic reactivity and flexibility make it a valuable asset in the pursuit of new drug candidates, innovative materials, and novel chemical entities.