4-Chloropyridine

Base Information

• Chemical Name: 4-Chloropyridine
• CAS No.: 626-61-9
• Molecular Formula: C5H4 Cl N
• Molecular Weight: 113.546
• European Community (EC) Number: 210-956-2
• DSSTox Substance ID: DTXSID0052671
• Nikkaji Number: J32.650J
• Wikidata: Q229945
• Mol file: 626-61-9.mol

Synonyms:4-CHLOROPYRIDINE;626-61-9;Pyridine, 4-chloro-;4-chloro-pyridine;EINECS 210-956-2;BRN 0105875;5-20-05-00410 (Beilstein Handbook Reference);4-chloropyrodine hydrochloride;p-Chloropyridine;4-chloro pyridine;4- Chloropyridine;4-chloranylpyridine;SCHEMBL6842;DTXSID0052671;HSDB 8486;PVMNPAUTCMBOMO-UHFFFAOYSA-;MFCD00044570;STL565226;AKOS015995550;AM81309;BS-22389;LS-131067;CS-0139547;FT-0618258;EN300-33957;F17303;A833912;Q229945;W-104969;F8880-0669

Chemical Property of 4-Chloropyridine

Chemical Property:

• Melting Point: -43.5°C
• Refractive Index: 1.5304 (estimate)
• Boiling Point: 147ºC
• PKA: 3.18±0.10(Predicted)
• Flash Point: 53ºC
• PSA: 12.89000
• Density: 1.2
• LogP: 1.73500
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.0032268
• Heavy Atom Count: 7
• Complexity: 50

Purity/Quality:

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

4-Chloropyridine 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1Cl

Technology Process of 4-Chloropyridine

There total 48 articles about 4-Chloropyridine 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%

4-chlorpyridine hydrochloride (7379-35-3) → 4-Chloropyridine (626-61-9)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 6h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201604780

Reference yield: 95.0%

4-chloropyridine N-oxide (1121-76-2) → 4-Chloropyridine (626-61-9)

Guidance literature:

With titanium tetrachloride; tin(ll) chloride; In diethyl ether; for 0.5h; Ambient temperature;

Reference yield: 94.0%

pyridin-4-ol (626-64-2,157061-69-3) → 4-Chloropyridine (626-61-9)

Guidance literature:

With trichloroacetonitrile; triphenylphosphine; In toluene; for 4h; Reflux;

DOI:10.1016/j.tetlet.2011.11.123

upstream raw materials:

pyridine N-oxide

pyridin-4-ol

pyridine-4-thiol

4-chloropyridine N-oxide

Downstream raw materials:

4-(toluene-4-sulfonyl)-pyridine

4-(3-nitrophenoxy)pyridine

diphenyl-4-pyridylmethane

2-phenyl-2-pyridin-4-yl-butyronitrile

Refernces

• 1、 Anthore-Dalion, Lucile,Cantat, Thibault,Kjellberg, Marianne,Nicolas, Emmanuel,Ohleier, Alexia,Thuéry, Pierre. "Photocatalytic deoxygenation of N-O bonds with rhenium complexes: From the reduction of nitrous oxide to pyridineN-oxides". . p. 10266 - 10272. Retrieved 2021/08/12.
• 2、 Cardinale, Luana,Jacobi Von Wangelin, Axel,Konev, Mikhail O.. "Catalyst-Free N-Deoxygenation by Photoexcitation of Hantzsch Ester". supporting information. . Retrieved 2020/02/15.