3-Nitroisonicotinonitrile

Base Information

• Chemical Name: 3-Nitroisonicotinonitrile
• CAS No.: 103698-09-5
• Molecular Formula: C₆H₃N₃O₂
• Molecular Weight: 149.109
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID701306127
• Nikkaji Number: J1.053.382A
• Mol file: 103698-09-5.mol

Synonyms:3-Nitroisonicotinonitrile;103698-09-5;3-Nitropyridine-4-carbonitrile;4-Pyridinecarbonitrile,3-nitro-(9CI);4-cyano-3-nitropyridine;3-Nitro-4-pyridinecarbonitrile;DTXSID701306127;AKOS015891957;SB54041

Chemical Property of 3-Nitroisonicotinonitrile

Chemical Property:

• PSA: 82.50000
• LogP: 1.38468
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 149.022526347
• Heavy Atom Count: 11
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

3-Nitroisonicotinonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1C#N)[N+](=O)[O-]

Technology Process of 3-Nitroisonicotinonitrile

There total 1 articles about 3-Nitroisonicotinonitrile 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:

pyridine-4-carbonitrile (100-48-1) → 4-cyano-3-nitropyridine (103698-09-5)

Guidance literature:

With dinitrogen pentoxide; sodium hydrogensulfite; Yield given; Multistep reaction; 1.) nitromethane, 5 min; 2.) nitromethane, water, methanol;

DOI:10.3891/acta.chem.scand.53-0141

Reference yield: 88.0%

4-cyano-3-nitropyridine (103698-09-5) → 3-amino-4-cyano-pyridine (78790-79-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 5h; under 3750.3 Torr;

DOI:10.1002/jhet.5570380114

upstream raw materials:

pyridine-4-carbonitrile

Downstream raw materials:

3-amino-4-cyano-pyridine