40161-54-4 | 4-Bromo-3-fluorobenzotrifluoride

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$8.00	$5.00
5g	98%	in stock	$10.00	$7.00
10g	98%	in stock	$19.00	$13.00
25g	98%	in stock	$20.00	$14.00

Description

• Catalog Number: AI49821
• Chemical Name: 4-Bromo-3-fluorobenzotrifluoride
• CAS Number: 40161-54-4
• Molecular Formula: C7H3BrF4
• Molecular Weight: 242.9963
• MDL Number: MFCD00042497
• SMILES: Brc1ccc(cc1F)C(F)(F)F

Computed Properties

• Complexity: 156
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• XLogP3: 3.6

Upstream Synthesis Route

1-Bromo-2-fluoro-4-(trifluoromethyl)benzene is a versatile compound commonly employed in chemical synthesis due to its unique structure and reactivity. This compound serves as a valuable building block in the preparation of various organic molecules and materials. One of its key applications is as a key intermediate in the synthesis of pharmaceutical compounds, agrochemicals, and specialty chemicals.In organic synthesis, 1-Bromo-2-fluoro-4-(trifluoromethyl)benzene can undergo various functional group transformations, such as nucleophilic substitutions, Suzuki-Miyaura cross-coupling reactions, and metal-catalyzed transformations. These reactions enable the introduction of the benzene ring with specific substituents, allowing for the creation of complex molecules with tailored properties. Additionally, the trifluoromethyl group in the compound imparts unique physicochemical properties, such as increased lipophilicity and metabolic stability, making it particularly valuable in drug discovery and development.Furthermore, the presence of both bromine and fluorine atoms in 1-Bromo-2-fluoro-4-(trifluoromethyl)benzene offers opportunities for further derivatization and functionalization, expanding its utility in organic synthesis. Overall, the strategic placement of functional groups in this compound makes it a valuable tool for chemists seeking to access diverse chemical space and design novel molecules for various applications in the pharmaceutical, agricultural, and materials science industries.