1218790-84-1 | 2-Cyano-4-(trifluoromethyl)phenylboronic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$267.00	$187.00
1g	95%	in stock	$636.00	$445.00
5g	95%	in stock	$2,500.00	$1,750.00

Description

• Catalog Number: AA54601
• Chemical Name: 2-Cyano-4-(trifluoromethyl)phenylboronic acid
• CAS Number: 1218790-84-1
• Molecular Formula: C8H5BF3NO2
• Molecular Weight: 214.937
• MDL Number: MFCD13195679
• SMILES: N#Cc1cc(ccc1B(O)O)C(F)(F)F

Computed Properties

• Complexity: 273
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1

Upstream Synthesis Route

The (2-Cyano-4-(trifluoromethyl)phenyl)boronic acid is a versatile compound widely used in chemical synthesis. It serves as a key building block in organic synthesis reactions, particularly in the formation of carbon-carbon bonds through cross-coupling reactions. This compound is valued for its ability to act as a boronic acid derivative, participating in Suzuki-Miyaura coupling reactions to form complex organic molecules. Additionally, its unique structure containing both a cyano group and a trifluoromethyl group contributes to the diversity of functional groups that can be incorporated into the final product. The (2-Cyano-4-(trifluoromethyl)phenyl)boronic acid plays a crucial role in the creation of pharmaceuticals, agrochemicals, and materials with specific properties due to its compatibility with various reaction conditions and its capacity to introduce functional groups with high efficiency.