1026355-57-6 | Methyl 2-bromo-5-(trifluoromethyl)benzoate

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$9.00	$7.00
250mg	98%	in stock	$15.00	$11.00
1g	98%	in stock	$37.00	$26.00
5g	98%	in stock	$130.00	$91.00
25g	98%	in stock	$521.00	$365.00
100g	98%	in stock	$1,718.00	$1,203.00

Description

• Catalog Number: AA10155
• Chemical Name: Methyl 2-bromo-5-(trifluoromethyl)benzoate
• CAS Number: 1026355-57-6
• Molecular Formula: C9H6BrF3O2
• Molecular Weight: 283.0419
• MDL Number: MFCD09999461
• SMILES: COC(=O)c1cc(ccc1Br)C(F)(F)F

Computed Properties

• Complexity: 242
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• XLogP3: 3.4

Upstream Synthesis Route

Methyl 2-bromo-5-(trifluoromethyl)benzoate is a versatile compound widely used in chemical synthesis. This specific molecule serves as a valuable building block in the preparation of various pharmaceuticals, agrochemicals, and materials. Its unique structure containing both bromine and trifluoromethyl groups enables it to participate in a range of important reactions such as nucleophilic substitution, cross-coupling, and lithiation, allowing for the efficient construction of complex organic molecules. Furthermore, the presence of the trifluoromethyl group enhances the compound's lipophilicity and metabolic stability, making it particularly valuable in the design of bioactive compounds. In summary, Methyl 2-bromo-5-(trifluoromethyl)benzoate plays a crucial role in modern synthetic chemistry by facilitating the synthesis of diverse functional molecules with applications across various sectors.