4,5-Dichloropyridin-2(1H)-one

Base Information

• Chemical Name: 4,5-Dichloropyridin-2(1H)-one
• CAS No.: 856965-66-7
• Molecular Formula: C5H3 Cl2 N O
• Molecular Weight: 163.991
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00607755
• Wikidata: Q82506831
• Mol file: 856965-66-7.mol

Synonyms:4,5-DICHLOROPYRIDIN-2(1H)-ONE;856965-66-7;4,5-Dichloro-2-hydroxypyridine;4,5-dichloro-1H-pyridin-2-one;4,5-Dichloro-2-pyridinol;SCHEMBL911633;SCHEMBL11157567;DTXSID00607755;AKOS006304803;AKOS022173518;CS-W022050;DS-7344;DB-081913;A863469

Chemical Property of 4,5-Dichloropyridin-2(1H)-one

Chemical Property:

• Vapor Pressure: 0.0311mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 244°C at 760 mmHg
• Flash Point: 101.4°C
• PSA: 33.12000
• Density: 1.52g/cm³
• LogP: 2.09400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 162.9591691
• Heavy Atom Count: 9
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

4,5-Dichloropyridin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CNC1=O)Cl)Cl

Technology Process of 4,5-Dichloropyridin-2(1H)-one

There total 2 articles about 4,5-Dichloropyridin-2(1H)-one 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: 90.4%

2,3,5-trichloropyridine (55934-01-5) → 4,5-dichloro-2-hydroxypyridine (856965-66-7)

Guidance literature:

With sodium hydroxide; In methanol; water; for 3h; Temperature; Solvent; Cooling with ice;

Reference yield:

4,5-dichloro-2-aminopyridine (188577-68-6) → 2,3,5-trichloropyridine (55934-01-5) + C5H3Cl2NO (856965-66-7)

Guidance literature:

4,5-dichloro-2-aminopyridine; With hydrogenchloride; sodium nitrite; In water; at 0 - 20 ℃;

With ammonium hydroxide; In water;

Reference yield:

4,5-dichloro-2-hydroxypyridine (856965-66-7) → 2,3,5-trichloropyridine (55934-01-5)

Guidance literature:

With trichlorophosphate; at 130 ℃;

upstream raw materials:

4,5-dichloro-2-aminopyridine

2,3,5-trichloropyridine

Downstream raw materials:

5-Chloro-2,4-dihydroxypyridine

2,3,5-trichloropyridine

2,4-dibromo-5-chloropyridine