100-28-7 | 4-Nitrophenyl isocyanate

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$26.00	$18.00
5g	97%	in stock	$50.00	$35.00
25g	97%	in stock	$139.00	$97.00
100g	97%	in stock	$449.00	$315.00

Description

• Catalog Number: AA00039
• Chemical Name: 4-Nitrophenyl isocyanate
• CAS Number: 100-28-7
• Molecular Formula: C7H4N2O3
• Molecular Weight: 164.11826000000005
• MDL Number: MFCD00007306
• SMILES: O=C=Nc1ccc(cc1)N(=O)=O
• NSC Number: 9800

Computed Properties

• Complexity: 209
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• XLogP3: 3

Upstream Synthesis Route

4-Nitrophenyl isocyanate is a versatile compound widely used in chemical synthesis for its unique reactivity and functional group compatibility. As a key building block in organic chemistry, 4-Nitrophenyl isocyanate serves as a valuable intermediate in the preparation of various compounds.One primary application of 4-Nitrophenyl isocyanate is in the synthesis of pharmaceuticals and agrochemicals. Its ability to undergo nucleophilic reactions with various nucleophiles, such as amines or alcohols, allows for the formation of diverse chemical structures essential in drug discovery and development.Furthermore, 4-Nitrophenyl isocyanate is utilized in the production of specialty chemicals and advanced materials. Its reactivity towards a wide range of functional groups enables the modification of organic molecules to introduce specific properties or functionalities, making it a crucial reagent in custom synthesis and material science.Overall, the distinct reactivity and versatility of 4-Nitrophenyl isocyanate make it a valuable tool in chemical synthesis, playing a vital role in the creation of complex molecules and innovative materials that drive advancements in various industries.

Literature

• Heteroarotinoids with anti-cancer activity against ovarian cancer cells.

  The open medicinal chemistry journal 20070101