4-Chloro-3-fluoropyridine

Base Information

• Chemical Name: 4-Chloro-3-fluoropyridine
• CAS No.: 2546-56-7
• Molecular Formula: C5H3ClFN
• Molecular Weight: 131.537
• Hs Code.: 2933399090
• European Community (EC) Number: 629-495-7
• DSSTox Substance ID: DTXSID10397332
• Nikkaji Number: J2.879.615C
• Wikidata: Q72451325
• Mol file: 2546-56-7.mol

Synonyms:4-Chloro-3-fluoropyridine;2546-56-7;MFCD03453233;3-Fluoro-4-chloropyridine;PYRIDINE, 4-CHLORO-3-FLUORO-;4-chloro-3-fluoro-pyridine;4-chloro-3fluoropyridine;4-chloro-3-fluoro-pyridin;3-fluoro-4-chloro-pyridine;4-chloro-3-fluoro pyridine;SCHEMBL317186;DTXSID10397332;BEQUUSCRAKEKQM-UHFFFAOYSA-N;BCP21109;AKOS005063628;DIBENZYLCYANOCARBONIMIDODITHIOATE;AB15511;AM62391;CS-W001515;PS-9142;4-Chloro-3-fluoropyridine, >=95.0%;AC-14121;SY007770;C3245;FT-0634353;EN300-85351;W-206953

Chemical Property of 4-Chloro-3-fluoropyridine

Chemical Property:

• Appearance/Colour: Light yellow liquid
• Vapor Pressure: 8.19mmHg at 25°C
• Melting Point: -24°C(lit.)
• Refractive Index: 1.503
• Boiling Point: 138.9 °C at 760 mmHg
• PKA: 1.93±0.10(Predicted)
• Flash Point: 37.8 °C
• PSA: 12.89000
• Density: 1.331 g/cm³
• LogP: 1.87410
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn, Xi, F
• Hazard Codes: Xi,F,Xn
• Statements: 10-36/37/38-20/21/22
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1Cl)F

Technology Process of 4-Chloro-3-fluoropyridine

There total 9 articles about 4-Chloro-3-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: 70.2%

3-Fluoropyridine (372-47-4) → 4-chloro-3-fluoro-pyridine (2546-56-7)

Guidance literature:

3-Fluoropyridine; With 2,3-dimethyl-2,3-diaminobutane; lithium diisopropyl amide; In tetrahydrofuran; n-heptane; tert-butyl methyl ether; ethylbenzene; at -50 - -40 ℃; for 74h;

With hexachloroethane; In tetrahydrofuran; n-heptane; tert-butyl methyl ether; ethylbenzene; at -46 - -40 ℃; for 68h;

Reference yield: 63.0%

3-fluoro-pyridin-4-ylamine (2247-88-3) → 4-chloro-3-fluoro-pyridine (2546-56-7)

Guidance literature:

With pyrylium tetrafluoroborate; magnesium chloride; In acetonitrile; for 16h; Heating; Sealed tube;

DOI:10.1038/s41557-021-00812-0

Reference yield:

4-chloro-3-fluoropyridine hydrochloride (119229-74-2) → 4-chloro-3-fluoro-pyridine (2546-56-7)

Guidance literature:

With sodium hydroxide; In water; pH=14;

upstream raw materials:

3-Fluoropyridine

3-chloro-4,5-difluoropyridine

3,4-dichloro-5-fluoropyridine

5-chloro-3-fluoro-2-hydrazinylpyridine

Downstream raw materials:

4-chloro-3-fluoropyridine-2-carboxylic acid

3-fluoro(pyridin-2-yl)carboxylic acid

3-fluoro-4-(4-nitrophenyl)pyridine

4-chloro-5-fluoropyridine-3-carboxaldehyde