2-Chloro-5-methyl-4-nitropyridine N-oxide

Base Information

• Chemical Name: 2-Chloro-5-methyl-4-nitropyridine N-oxide
• CAS No.: 60323-96-8
• Molecular Formula: C6H5 Cl N2 O3
• Molecular Weight: 188.57
• Hs Code.: 2933399090
• European Community (EC) Number: 813-043-2
• DSSTox Substance ID: DTXSID90487987
• Wikidata: Q82330360
• Mol file: 60323-96-8.mol

Synonyms:60323-96-8;2-Chloro-5-methyl-4-nitropyridine N-oxide;2-Chloro-5-methyl-4-nitropyridine 1-oxide;2-CHLORO-5-METHYL-4-NITROPYRIDINE-N-OXIDE;2-chloro-5-methyl-4-nitro-1-oxidopyridin-1-ium;2-chloro-5-methyl-4-nitropyridine-1-oxide;2-chloro-5-methyl-4-nitro-pyridine 1-oxide;SCHEMBL624089;AMY6234;DTXSID90487987;DXJQKWNJVPTPSK-UHFFFAOYSA-N;MFCD09880009;AKOS006311412;AS-30726;2-Chloro-5-methyl-4-nitropyridine1-oxide;Pyridine,2-chloro-5-methyl-4-nitro-,1-oxide

Chemical Property of 2-Chloro-5-methyl-4-nitropyridine N-oxide

Chemical Property:

• Melting Point: 154-155 °C
• Boiling Point: 399.8±37.0 °C(Predicted)
• PKA: -2.38±0.10(Predicted)
• PSA: 71.28000
• Density: 1.53±0.1 g/cm3(Predicted)
• LogP: 2.50830
• Storage Temp.: Room temperature.
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 187.9988697
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

99.9% ^*data from raw suppliers

2-Chloro-5-methyl-4-nitropyridine-N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C[N+](=C(C=C1[N+](=O)[O-])Cl)[O-]

Technology Process of 2-Chloro-5-methyl-4-nitropyridine N-oxide

There total 4 articles about 2-Chloro-5-methyl-4-nitropyridine N-oxide 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: 80.0%

2-chloro-5-methylpyridine-N-oxide (20173-49-3) → 2-chloro-5-methyl-4-nitropyridine 1-oxide (60323-96-8)

Guidance literature:

With sulfuric acid; nitric acid; at 100 ℃; for 2h;

Reference yield: 66.0%

2-chloro-5-methylpyridine (18368-64-4) → 2-chloro-5-methyl-4-nitropyridine 1-oxide (60323-96-8)

Guidance literature:

2-chloro-5-methylpyridine; With dihydrogen peroxide; In acetic anhydride; at 20 - 60 ℃; for 30.1667h; Cooling with ice;

With sulfuric acid; nitric acid; In acetic anhydride; at 100 ℃; for 1.5h;

Reference yield:

→ 2-chloro-5-methyl-4-nitropyridine 1-oxide (60323-96-8)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/ja01570a070

upstream raw materials:

2-chloro-5-methylpyridine

2-chloro-5-methylpyridine-N-oxide

Downstream raw materials:

2-(2,4-difluorophenoxy)-5-methyl-4-nitropyridine-1-oxide

2-chloro-5-methyl-pyridin-4-ylamine

3-chloro-4-fluoro-N-{cis-4-[(5-methyl-4-nitro-1-oxidopyridin-2-yl)amino]cyclohexyl}benzamide

3,4,5-trifluoro-N-{cis-4-[(5-methyl-4-nitro-1-oxidopyridin-2-yl)amino]cyclohexyl}benzamide