1195-45-5 | 4-Fluorophenyl isocyanate

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$10.00	$7.00
5g	97%	in stock	$15.00	$11.00
25g	97%	in stock	$47.00	$33.00

Description

• Catalog Number: AA32483
• Chemical Name: 4-Fluorophenyl isocyanate
• CAS Number: 1195-45-5
• Molecular Formula: C7H4FNO
• Molecular Weight: 137.1112
• MDL Number: MFCD00002023
• SMILES: O=C=Nc1ccc(cc1)F
• NSC Number: 82348

Computed Properties

• Complexity: 146
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• XLogP3: 2.8

Upstream Synthesis Route

4-Fluorophenyl isocyanate is a versatile chemical compound that plays a crucial role in chemical synthesis processes. This compound is commonly used as a building block in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique properties make it a valuable reagent in the synthesis of heterocyclic compounds, which are important in drug discovery and development. Furthermore, 4-Fluorophenyl isocyanate is often utilized as a key intermediate in the preparation of functionalized products with diverse applications in the field of materials science. Its ability to undergo reactions such as nucleophilic substitution and cycloaddition makes it a valuable tool for organic chemists seeking to create novel compounds for a wide range of industrial and academic purposes.

Literature

• 2,2'-Bis(4-fluoro-anilino)-3,3'-(3,6-dioxa-octane-1,8-di-yl)diquinazolin-4(3H)-one.

  Acta crystallographica. Section E, Structure reports online 20090101

• 5-Butyl-amino-6-(4-fluoro-phen-yl)-7-oxo-1-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile.

  Acta crystallographica. Section E, Structure reports online 20080501