1110502-49-2 | 5-Bromo-2-fluoro-3-methylbenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$129.00	$90.00
1g	98%	in stock	$261.00	$183.00
5g	98%	in stock	$819.00	$573.00
10g	98%	in stock	$1,410.00	$987.00
25g	98%	in stock	$2,623.00	$1,836.00

Description

• Catalog Number: AI08243
• Chemical Name: 5-Bromo-2-fluoro-3-methylbenzonitrile
• CAS Number: 1110502-49-2
• Molecular Formula: C8H5BrFN
• Molecular Weight: 214.0344
• MDL Number: MFCD25955533
• SMILES: N#Cc1cc(Br)cc(c1F)C

Computed Properties

• Complexity: 186
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 2.8

Upstream Synthesis Route

5-Bromo-2-fluoro-3-methylbenzonitrile is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. In organic synthesis, this compound serves as a key building block for the construction of various biologically active molecules and pharmaceutical intermediates. Its specific applications include:1. Cross-coupling reactions: 5-Bromo-2-fluoro-3-methylbenzonitrile can participate in palladium-catalyzed cross-coupling reactions with different nucleophiles such as boronic acids, organostannanes, and Grignard reagents. This allows for the efficient formation of aryl-aryl, aryl-heteroaryl, and aryl-alkyl bonds, enabling the synthesis of complex organic molecules.2. Substitution reactions: The bromo and fluoro functional groups present in 5-Bromo-2-fluoro-3-methylbenzonitrile make it a suitable candidate for various substitution reactions. These reactions can lead to the introduction of different functional groups at specific positions on the benzene ring, allowing for the modification and diversification of chemical structures.3. Agrochemical and pharmaceutical synthesis: The availability of the cyano group in the molecule makes 5-Bromo-2-fluoro-3-methylbenzonitrile a valuable intermediate for the synthesis of agrochemicals and pharmaceuticals. By utilizing this compound as a starting material, chemists can access a range of biologically active compounds with potential applications in crop protection and medicinal chemistry.4. Material science: 5-Bromo-2-fluoro-3-methylbenzonitrile can also be employed in the field of material science for the production of functional materials such as liquid crystals, polymers, and dyes. The presence of both electron-withdrawing and electron-donating groups in the molecule provides opportunities for tailored molecular design and property optimization in material synthesis.Overall, the diverse applications of 5-Bromo-2-fluoro-3-methylbenzonitrile make it a valuable tool for synthetic chemists seeking to access novel compounds with specific functionalities and applications in various industries.