3-Chloropyridine 1-oxide

Base Information

• Chemical Name: 3-Chloropyridine 1-oxide
• CAS No.: 1851-22-5
• Molecular Formula: C5H4ClNO
• Molecular Weight: 129.546
• Hs Code.: 29333990
• European Community (EC) Number: 835-542-4
• DSSTox Substance ID: DTXSID90171713
• Nikkaji Number: J303.194B
• Wikidata: Q72458557
• Mol file: 1851-22-5.mol

Synonyms:3-Chloropyridine 1-oxide;3-Chloropyridine N-oxide;1851-22-5;3-Chloropyridine-N-oxide;3-chloro-1-oxidopyridin-1-ium;3-chloropyridin-1-ium-1-olate;Pyridine, 3-chloro-, 1-oxide;3-chloro-pyridine-1-oxide;MFCD00128857;Pyridine, 3-chloro-,1-oxide;3-chloro-pyridine 1-oxide;3-Chloropyridine1-oxide;5-chloropyridine N-oxide;3-Chloropyridine-1-oxide;3-chloro-pyridine-N-oxide;SCHEMBL844033;DTXSID90171713;NEXUNCTUUDERGR-UHFFFAOYSA-N;AKOS006273005;AM86713;AS-14947;SY073799;C2329;FT-0645949;EN300-156272;N10275;A812927;J-011867

Chemical Property of 3-Chloropyridine 1-oxide

Chemical Property:

• Vapor Pressure: 0.00113mmHg at 25°C
• Melting Point: 57-58 °C
• Refractive Index: 1.552
• Boiling Point: 310 °C at 760 mmHg
• PKA: 0.01±0.10(Predicted)
• Flash Point: 141.3 °C
• PSA: 25.46000
• Density: 1.27 g/cm³
• LogP: 1.76850
• Storage Temp.: Refrigerator
• Solubility.: soluble in Methanol
• XLogP3: 0.4
• 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

3-Chloropyridine N-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C[N+](=C1)[O-])Cl
• Uses: 3-Chloropyridine N-Oxide (cas# 1851-22-5) is a compound useful in organic synthesis.

Technology Process of 3-Chloropyridine 1-oxide

There total 4 articles about 3-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: 100.0%

3-Chloropyridine (626-60-8) + starch-iodine → 3-chloropyridine-N-oxide (1851-22-5)

Guidance literature:

With dihydrogen peroxide; paraformaldehyde; In methanol; acetic acid;

Reference yield: 95.1%

3-Chloropyridine (626-60-8) → 3-chloropyridine-N-oxide (1851-22-5)

Guidance literature:

With dihydrogen peroxide; acetic acid; In water; at 70 ℃; for 6h;

Reference yield:

3-Chloropyridine (626-60-8) + aqueous H2 O2 → 3-chloropyridine-N-oxide (1851-22-5)

Guidance literature:

In acetic acid;

upstream raw materials:

3-Chloropyridine

Downstream raw materials:

2-cyano-5-chloropyridine

3-chloro-2-cyanopyridine

(2-Chloro-phenyl)-(3-chloro-pyridin-2-yl)-amine

N,N-dimethylaminopyridine 1-oxide

Refernces

• 1、 Radix, Sylvie,Hallé, Fran?ois,Mahiout, Zahia,Teissonnière, Amélie,Bouchez, Grégoire,Auberger, Ludovic,Barret, Roland,Lomberget, Thierry. "A Journey through Hemetsberger–Knittel, Leimgruber–Batcho and Bartoli Reactions: Access to Several Hydroxy 5- and 6-Azaindoles". . . Retrieved 2022/02/22.
• 2、 Schie?l, Jasmin,Stein, Philipp M.,Stirn, Judith,Emler, Kirsten,Rudolph, Matthias,Rominger, Frank,Hashmi, A. Stephen K.. "Strategic Approach on N-Oxides in Gold Catalysis – A Case Study". supporting information. p. 725 - 738. Retrieved 2018/10/20.