1131587-92-2 | Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate

Packsize	Purity	Availability	Price	Discounted Price
1mg	95%	2 weeks	$105.00	$73.00
100mg	95%	2 weeks	$109.00	$76.00
250mg	95%	2 weeks	$156.00	$109.00
1g	95%	2 weeks	$420.00	$294.00

Description

• Catalog Number: AE24395
• Chemical Name: Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate
• CAS Number: 1131587-92-2
• Molecular Formula: C9H6BrF3O3
• Molecular Weight: 299.0413
• MDL Number: MFCD11110855
• SMILES: COC(=O)c1cc(Br)c(cc1O)C(F)(F)F

Computed Properties

• Complexity: 269
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3.5

Upstream Synthesis Route

Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate serves as a versatile building block in chemical synthesis, demonstrating strategic importance in the development of novel molecules and pharmaceutical compounds. Its distinctive structure and reactivity make it a valuable precursor for the synthesis of various heterocyclic compounds and biologically active molecules. By participating in electrophilic aromatic substitution reactions as both a directing group and a functionalized aryl ring, this compound enables the introduction of diverse functional groups, providing access to a wide range of derivatives with tailored properties. Additionally, its trifluoromethyl and bromo substituents impart unique physicochemical characteristics that can be harnessed in the design of new materials and drug candidates.