3-Chloro-5-fluoropyridine

Base Information

• Chemical Name: 3-Chloro-5-fluoropyridine
• CAS No.: 514797-99-0
• Molecular Formula: C5H3ClFN
• Molecular Weight: 131.537
• Hs Code.: 2933399090
• European Community (EC) Number: 677-345-4
• DSSTox Substance ID: DTXSID00476160
• Nikkaji Number: J1.861.134A
• Wikidata: Q72451347
• Mol file: 514797-99-0.mol

Synonyms:3-Chloro-5-fluoropyridine;514797-99-0;MFCD05663707;5-Chloro-3-fluoropyridine;PYRIDINE, 3-CHLORO-5-FLUORO-;3-Chloro-5-fluoro-pyridine;SCHEMBL648679;DTXSID00476160;LTILYPOSFJLPSK-UHFFFAOYSA-N;3-Chloro-5-fluoropyridine, 97%;AKOS005064123;AB21896;AC-2965;CS-W021904;GS-6832;SY003438;AM20061730;C3055;FT-0649153;EN300-113871

Chemical Property of 3-Chloro-5-fluoropyridine

Chemical Property:

• Melting Point: 25-27℃
• Refractive Index: 1.503
• Boiling Point: 126.1 °C at 760 mmHg
• PKA: 0.52±0.20(Predicted)
• Flash Point: 30 °C
• PSA: 12.89000
• Density: 1.331 g/cm³
• LogP: 1.87410
• Storage Temp.: Room temperature.
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 130.9938050
• Heavy Atom Count: 8
• Complexity: 78.8

Purity/Quality:

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

3-Chloro-5-fluoropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi,Xn,F
• Statements: 11-22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=C1Cl)F

Technology Process of 3-Chloro-5-fluoropyridine

There total 8 articles about 3-Chloro-5-fluoropyridine 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: 92.0%

2-bromo-5-chloro-3-fluoro-pyridine (514797-97-8) → 3-chloro-5-fluoro-pyridine (514797-99-0)

Guidance literature:

With sodium hydroxide; zinc; at 25 ℃; for 6h;

DOI:10.1002/1099-0690(200212)2002:24<4174::AID-EJOC4174>3.0.CO;2-6

Reference yield: 72.0%

5-chloro-3-fluoro-2-hydrazinylpyridine (248255-70-1) → 3-chloro-5-fluoro-pyridine (514797-99-0)

Guidance literature:

With copper(II) sulfate; Heating;

DOI:10.1002/chem.200400837

Reference yield: 24.0%

→ 3-chloro-5-fluoro-pyridine (514797-99-0)

Guidance literature:

With Hexafluorobenzene; tetra-n-butylammonium cyanide; In dimethylsulfoxide-d6; at 20 ℃; for 24h;

upstream raw materials:

2-bromo-5-chloro-3-fluoro-pyridine

5-chloro-3-fluoro-2-hydrazinylpyridine

5-chloro-2,3-difluoropyridine

5-chloro-3-fluoro-2(1H)-pyridinone

Downstream raw materials:

3-chloro-5-fluoro-4-iodo-pyridine

2,2',3,3',5,5',6,6'-octafluoro-4,4'-dimethoxy-1,1'-biphenyl

3-chloro-5-fluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)pyridine

4-trans(5-chloro-pyridin-3-yloxy)cyclohexylamine

Refernces

• 1、 Allen, Laura J.,Muhuhi, Joseck M.,Bland, Douglas C.,Merzel, Rachel,Sanford, Melanie S.. "Mild fluorination of chloropyridines with in situ generated anhydrous tetrabutylammonium fluoride". . p. 5827 - 5833. Retrieved 2014/07/08.
• 2、 Schlosser, Manfred,Bobbio, Carla. "Creating structural manifolds from a common precursor: Basicity gradient-driven isomerization of halopyridines". . p. 4174 - 4180. Retrieved 2007/10/03.