2-Cyano-5-nitronaphthalene

Base Information

• Chemical Name: 2-Cyano-5-nitronaphthalene
• CAS No.: 23245-67-2
• Molecular Formula: C11H6N2O2
• Molecular Weight: 198.17754
• DSSTox Substance ID: DTXSID00332590
• Nikkaji Number: J1.866.303A
• Wikidata: Q82097317
• Mol file: 23245-67-2.mol

Synonyms:2-Cyano-5-nitronaphthalene;5-nitronaphthalene-2-carbonitrile;23245-67-2;5-Nitro-2-naphthonitrile;SCHEMBL1344051;DTXSID00332590;5-Nitro-2-naphthalenecarbonitrile;FT-0766060

Chemical Property of 2-Cyano-5-nitronaphthalene

Chemical Property:

• PSA: 69.61000
• LogP: 3.14288
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 198.042927438
• Heavy Atom Count: 15
• Complexity: 301

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=C2)C#N)C(=C1)[N+](=O)[O-]

Technology Process of 2-Cyano-5-nitronaphthalene

There total 6 articles about 2-Cyano-5-nitronaphthalene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-nitronaphthalene (581-89-5) → 5-nitro-2-naphthonitrile (23245-67-2)

Guidance literature:

Multi-step reaction with 3 steps

1: HNO₃

2: NaHS / methanol

3: (i) NaNO₂, aq. HCl, (ii) /BRN= 4652394/, CuCN

With sodium hydrogensulfide; nitric acid; In methanol;

Reference yield:

2-naphthalenecarbonitrile (613-46-7) → 8-nitro-2-naphthonitrile (23245-68-3) + 5-nitro-2-naphthonitrile (23245-67-2)

Guidance literature:

With zeolite HBEA-150; oxygen; Nitrogen dioxide; In acetonitrile; at 20 ℃; for 12h; Further Variations:; Reagents; Temperatures; Product distribution;

DOI:10.1039/b301847d

Reference yield:

1,6-dinitronaphthalene (607-46-5) → 5-nitro-2-naphthonitrile (23245-67-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaHS / methanol

2: (i) NaNO₂, aq. HCl, (ii) /BRN= 4652394/, CuCN

With sodium hydrogensulfide; In methanol;

upstream raw materials:

2-naphthalenecarbonitrile

2-amino-5-nitronaphthalene

potassium cyanide

2-nitronaphthalene

Downstream raw materials:

5-amino-[2]naphthonitrile

Refernces