51762-67-5 | 3-Nitrophthalonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$6.00	$4.00
5g	98%	in stock	$7.00	$5.00
10g	98%	in stock	$9.00	$6.00
25g	≥98%	in stock	$15.00	$10.00
100g	98%	in stock	$36.00	$25.00
500g	98%	in stock	$143.00	$101.00

Description

• Catalog Number: AB51018
• Chemical Name: 3-Nitrophthalonitrile
• CAS Number: 51762-67-5
• Molecular Formula: C8H3N3O2
• Molecular Weight: 173.1283
• MDL Number: MFCD00191558
• SMILES: N#Cc1cccc(c1C#N)[N+](=O)[O-]

Computed Properties

• Complexity: 302
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• XLogP3: 0.7

Upstream Synthesis Route

3-Nitrophthalonitrile is a versatile compound that finds wide application in chemical synthesis. With its unique chemical structure containing both nitro and nitrile functional groups, this compound serves as a valuable building block in the production of various organic molecules. In the realm of chemical synthesis, 3-Nitrophthalonitrile is commonly employed as a precursor in the creation of pharmaceutical intermediates, agrochemicals, and dyes.Due to its ability to undergo diverse chemical reactions, this compound can be transformed into a wide array of derivatives with different properties and functionalities. One notable application of 3-Nitrophthalonitrile is its use as a key starting material in the synthesis of complex organic compounds, where its nitro and nitrile groups can be selectively modified to introduce new chemical moieties. This compound's reactivity and versatility make it highly sought after in the field of organic chemistry for designing novel molecules with tailored properties.Furthermore, 3-Nitrophthalonitrile plays a crucial role in the development of new materials such as polymers and liquid crystals. By incorporating this compound into the molecular structure of polymers, researchers can impart specific properties such as enhanced mechanical strength, thermal stability, and optical characteristics. Additionally, the unique electronic properties of 3-Nitrophthalonitrile derivatives make them promising candidates for applications in organic electronics and materials science.In essence, 3-Nitrophthalonitrile serves as a valuable tool in chemical synthesis, offering immense potential for the creation of diverse organic compounds with tailored functionalities and applications. Its versatility and reactivity make it a cornerstone in the development of novel materials and pharmaceuticals, showcasing its significance in modern organic chemistry.

Literature

• 4-(2-Chloro-ethoxy)phthalonitrile.

  Acta crystallographica. Section E, Structure reports online 20081201

• 3-(2-Nitro-phen-oxy)phthalonitrile.

  Acta crystallographica. Section E, Structure reports online 20080201

• Synthesis, Characterization, and In Vitro Photodynamic Activity of Novel Amphiphilic Zinc(II) Phthalocyanines Bearing Oxyethylene-Rich Substituents.

  Metal-based drugs 20080101

• 3,4-Dicyano-phenyl 2,3,4,6-tetra-O-acetyl-α-d-glucopyran-oside.

  Acta crystallographica. Section E, Structure reports online 20080101