3-Nitropyridine-2,6-diol

Base Information

• Chemical Name: 3-Nitropyridine-2,6-diol
• CAS No.: 16013-84-6
• Molecular Formula: C5H4 N2 O4
• Molecular Weight: 156.098
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80396670
• Wikidata: Q82197498
• Mol file: 16013-84-6.mol

Synonyms:3-Nitropyridine-2,6-diol;16013-84-6;2,6-DIHYDROXY-3-NITROPYRIDINE;6-hydroxy-5-nitro-1H-pyridin-2-one;SCHEMBL9669573;DTXSID80396670;AKOS006273992;SB85128;FT-0701366;A810113

Chemical Property of 3-Nitropyridine-2,6-diol

Chemical Property:

• Vapor Pressure: 2.44E-05mmHg at 25°C
• Melting Point: 321 °C (decomp)(Solv: water (7732-18-5))
• Refractive Index: 1.637
• Boiling Point: 321.2ºC at 760 mmHg
• PKA: 3.27±0.53(Predicted)
• Flash Point: 148ºC
• PSA: 99.17000
• Density: 1.65g/cm3
• LogP: 0.92420
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 156.01710661
• Heavy Atom Count: 11
• Complexity: 273

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Nitropyridine-2,6-diol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)NC(=C1[N+](=O)[O-])O

Technology Process of 3-Nitropyridine-2,6-diol

There total 3 articles about 3-Nitropyridine-2,6-diol 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: 92.7%

C7H10ClNO6 → 2,6-dihydroxy-3-nitropyridine (16013-84-6)

Guidance literature:

With ammonia; In N,N-dimethyl-formamide; at 40 - 145 ℃; for 5h; Solvent; Temperature;

Reference yield:

3H-pyridine-2,6-dione (6004-34-8) → 2,6-dihydroxy-3-nitropyridine (16013-84-6)

Guidance literature:

With sulfuric acid; nitric acid; at 50 ℃;

Reference yield:

→ 6-Hydroxy-3-nitro-2(1H)-pyridon (16013-84-6)

Guidance literature:

6-Hydroxy-2(1H)-pyridon, KNO3 in H2SO4;

upstream raw materials:

3H-pyridine-2,6-dione

Downstream raw materials:

2,6-dicholoro-3-nitropyridine

Refernces