2-Chloropyridine 1-oxide

Base Information

• Chemical Name: 2-Chloropyridine 1-oxide
• CAS No.: 2402-95-1
• Molecular Formula: C5H4ClNO
• Molecular Weight: 129.546
• Hs Code.: 29333990
• European Community (EC) Number: 219-284-4
• UNII: 1B7DYF9G1Z
• DSSTox Substance ID: DTXSID60178754
• Nikkaji Number: J31.408K
• Wikidata: Q27252188
• Mol file: 2402-95-1.mol

Synonyms:2402-95-1;2-Chloropyridine 1-oxide;2-Chloropyridine N-oxide;2-Chloropyridine-N-oxide;2-Chloropyridine oxide;2-chloro-1-oxidopyridin-1-ium;Pyridine, 2-chloro-, 1-oxide;MFCD00129036;N-oxy-2-chlorpyridine;2-Chloropyridinen-oxide;2-Chloropyridine1-oxide;2-chloropyridine-N oxide;UNII-1B7DYF9G1Z;2-Chloro-pyridine-1-oxide;1B7DYF9G1Z;SCHEMBL853354;2-chloropyridin-1-ium-1-olate;DTXSID60178754;AMY15472;CHLOROPYRIDINE-N-OXIDE, 2-;EINECS 219-284-4;PYRIDINE, 2-CHLORO-, OXIDE;AKOS006229636;GS-6521;SB53813;SY062240;FT-0634247;H10017;AN-584/43417532;J-509168;Q27252188

Chemical Property of 2-Chloropyridine 1-oxide

Chemical Property:

• Vapor Pressure: 0.000733mmHg at 25°C
• Melting Point: 67-70 °C
• Refractive Index: 1,531-1,533
• Boiling Point: 310 °C at 760 mmHg
• PKA: -0.76±0.10(Predicted)
• Flash Point: 141.3 °C
• PSA: 25.46000
• Density: 1.27 g/cm³
• LogP: 1.76850
• Sensitive.: Moisture Sensitive
• Water Solubility.: Insoluble in water.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 128.9981414
• Heavy Atom Count: 8
• Complexity: 78.8

Purity/Quality:

99% ^*data from raw suppliers

2-Chloropyridine N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 23/24/25-36/37/38-20/21/22
• Safety Statements: 26-36/37/39-45-36-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=[N+](C(=C1)Cl)[O-]
• Uses: 2-Chloropyridine oxide is a cytotoxic and clastogenic compound.

Technology Process of 2-Chloropyridine 1-oxide

There total 4 articles about 2-Chloropyridine 1-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: 98.88%

2-chloropyridine (109-09-1) → 2-chloropyridine-N-oxide (2402-95-1)

Guidance literature:

With dihydrogen peroxide; In water; at 65 - 80 ℃; for 1h; Reagent/catalyst;

Reference yield:

2-aminopyridine N-oxide (14150-95-9) → 2-chloropyridine-N-oxide (2402-95-1)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated sulfuric acid; peroxomonosulfuric acid

With caro's acid; sulfuric acid;

DOI:10.1021/ja01570a070

Reference yield:

4-carboxy-2-nitropyridine N-oxide (2403-02-3) + acetyl chloride (75-36-5) → 2-chloropyridine-N-oxide (2402-95-1)

Guidance literature:

DOI:10.1021/ja01570a070

upstream raw materials:

2-chloropyridine

4-carboxy-2-nitropyridine N-oxide

acetyl chloride

2-aminopyridine N-oxide

Downstream raw materials:

2-methoxypyridine N-oxide

2-phenylthiopyridine nitroxide

2-phenylpyridin N-oxide

piperidine hydrochloride

Refernces

• 1、 Bugaenko, Dmitry I.,Yurovskaya, Marina A.,Karchava, Alexander V.. "From Pyridine- N-oxides to 2-Functionalized Pyridines through Pyridyl Phosphonium Salts: An Umpolung Strategy". supporting information. p. 6099 - 6104. Retrieved 2021/08/03.
• 2、 -. "Method for catalyzing vitamin A isomerization with ruthenium catalyst". Paragraph 0050; 0053-0054. . Retrieved 2020/04/22.