1048921-49-8 | 2,6-Difluoro-3-(trifluoromethyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$22.00	$16.00
10g	98%	in stock	$851.00	$596.00
25g	98%	in stock	$1,535.00	$1,074.00

Description

• Catalog Number: AE08125
• Chemical Name: 2,6-Difluoro-3-(trifluoromethyl)benzoic acid
• CAS Number: 1048921-49-8
• Molecular Formula: C8H3F5O2
• Molecular Weight: 226.1002
• MDL Number: MFCD03412249
• SMILES: OC(=O)c1c(F)ccc(c1F)C(F)(F)F

Computed Properties

• Complexity: 252
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.5

Upstream Synthesis Route

2,6-Difluoro-3-(trifluoromethyl)benzoic acid is a versatile compound widely utilized in chemical synthesis as a key building block. Due to its unique structure containing both difluoro and trifluoromethyl functional groups, this compound is valued for its ability to introduce fluorine atoms into organic molecules during synthetic processes. It serves as a crucial intermediate in the production of various pharmaceuticals, agrochemicals, and advanced materials where the presence of fluorine atoms is of importance in enhancing desired properties. Additionally, its use in medicinal chemistry for developing fluorinated drug candidates has been well-documented, showcasing its significance in the field of drug discovery.