118829-12-2 | 3-Bromo-2,5,6-trifluorobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$203.00	$142.00
5g	95%	in stock	$573.00	$402.00
10g	95%	in stock	$946.00	$662.00

Description

• Catalog Number: AI12122
• Chemical Name: 3-Bromo-2,5,6-trifluorobenzoic acid
• CAS Number: 118829-12-2
• Molecular Formula: C7H2BrF3O2
• Molecular Weight: 254.9888
• MDL Number: MFCD25956267
• SMILES: OC(=O)c1c(F)c(F)cc(c1F)Br

Computed Properties

• Complexity: 214
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.4

Upstream Synthesis Route

Benzoic acid, 3-bromo-2,5,6-trifluoro- is a versatile compound employed in chemical synthesis as a key building block for various organic reactions. This compound serves as a valuable starting material in the creation of advanced pharmaceuticals, agrochemicals, and specialty chemicals due to its unique structural properties. Its trifluoromethyl and bromine functionalities facilitate diverse synthetic transformations, allowing for the introduction of fluorine atoms with high regioselectivity and enabling access to fluorinated aromatic rings. Furthermore, the presence of the bromine atom offers opportunities for further functionalization through cross-coupling reactions and diverse C–X bond formations. In the realm of organic chemistry, Benzoic acid, 3-bromo-2,5,6-trifluoro- plays a pivotal role in the construction of complex molecules with specific properties, making it an essential component in modern chemical synthesis methodologies.