102561-42-2 | 2-Fluoro-4-isocyanato-1-methylbenzene

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$39.00	$27.00
5g	98%	in stock	$168.00	$117.00
25g	98%	in stock	$500.00	$350.00
100g	98%	in stock	$1,724.00	$1,207.00

Description

• Catalog Number: AA09788
• Chemical Name: 2-Fluoro-4-isocyanato-1-methylbenzene
• CAS Number: 102561-42-2
• Molecular Formula: C8H6FNO
• Molecular Weight: 151.1377
• MDL Number: MFCD00037071
• SMILES: O=C=Nc1ccc(c(c1)F)C

Computed Properties

• Complexity: 177
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• XLogP3: 3.2

Upstream Synthesis Route

2-Fluoro-4-isocyanato-1-methylbenzene, also known as $name$, is a versatile compound widely used in chemical synthesis. It serves as a key building block in the preparation of various organic compounds, particularly in the field of medicinal chemistry. One important application of 2-Fluoro-4-isocyanato-1-methylbenzene is its involvement in the synthesis of biologically active molecules and pharmaceutical intermediates. The presence of the fluoro and isocyanato functional groups in this compound enables it to participate in a range of selective reactions, allowing for the efficient construction of complex molecular structures with specific pharmacological properties. Furthermore, the unique reactivity of the isocyanato group in 2-Fluoro-4-isocyanato-1-methylbenzene makes it a valuable reagent for the introduction of nitrogen-containing functionalities into target molecules. This can be particularly useful in the design and synthesis of novel drug candidates or organic materials with specific properties.Overall, 2-Fluoro-4-isocyanato-1-methylbenzene plays a crucial role in the synthesis of diverse compounds with applications in pharmaceuticals, agrochemicals, and materials science, showcasing its importance in modern organic chemistry research and development.