2-Chloro-5-fluoro-3-nitropyridine

Base Information

• Chemical Name: 2-Chloro-5-fluoro-3-nitropyridine
• CAS No.: 136888-21-6
• Molecular Formula: C5H2ClFN2O2
• Molecular Weight: 176.534
• Hs Code.: 2933399090
• European Community (EC) Number: 810-997-1
• DSSTox Substance ID: DTXSID80444645
• Wikidata: Q72451007
• Mol file: 136888-21-6.mol

Synonyms:2-Chloro-5-fluoro-3-nitropyridine;136888-21-6;2-chloro-5-fluoro-3-nitro-pyridine;Pyridine, 2-chloro-5-fluoro-3-nitro-;MFCD06659490;2-Chloro-3-nitro-5-fluoropyridine;SCHEMBL1191135;DTXSID80444645;SVVZGNAZMPSGMU-UHFFFAOYSA-N;BCP23245;2-chloro-5-fluoro-3-nitro pyridine;AKOS005063931;CS-W018687;SB33081;AC-23696;AS-14974;SY031916;A2939;AM20050803;C3115;FT-0648075;EN300-136527;Q-103364

Chemical Property of 2-Chloro-5-fluoro-3-nitropyridine

Chemical Property:

• Vapor Pressure: 6.86E-05mmHg at 25°C
• Melting Point: 48.0 to 52.0 °C
• Boiling Point: 246.166 °C at 760 mmHg
• PKA: -4.94±0.10(Predicted)
• Flash Point: 102.678 °C
• PSA: 58.71000
• Density: 1.595 g/cm³
• LogP: 2.30550
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 175.9788832
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-5-fluoro-3-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1[N+](=O)[O-])Cl)F

Technology Process of 2-Chloro-5-fluoro-3-nitropyridine

There total 7 articles about 2-Chloro-5-fluoro-3-nitropyridine 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: 70.0%

5-fluoro-2-hydroxy-3-nitropyridine (136888-20-5) → 2-chloro-5-fluoro-3-nitro pyridine (136888-21-6)

Guidance literature:

With benzyltrimethylammonium chloride; trichlorophosphate; In acetonitrile; at 80 ℃; for 6h;

Reference yield: 48.0%

→ 2-chloro-5-fluoro-3-nitro pyridine (136888-21-6)

Guidance literature:

Reference yield:

2-chloro-5-fluoro-3-nitropyridine (884495-37-8) → 2-chloro-5-fluoro-3-nitro pyridine (136888-21-6)

Guidance literature:

With ethylenediaminetetraacetic acid; dihydrogen peroxide; potassium carbonate; In water; acetonitrile; at 20 ℃; for 1h;

upstream raw materials:

5-fluoro-2-hydroxy-3-nitropyridine

5-fluoropyridin-2-ol

2-amino-5-fluoropyridine

2-amino-5-fluoro-3-nitropyridine

Downstream raw materials:

6-fluoro-1,3-dihydro-2H-pyrrolo[3,2-b]pyridin-2-one

7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridine

N-{1-[4-(4-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]piperidiin-4-yl}-5-fluoro-3-nitropyridin-2-amine

2-amino-5-fluoro-3-nitropyridine

Refernces

• 1、 -. "Triazole methyl ester linked spiro compound with antibacterial activity, and preparation method and application thereof". . . Retrieved 2018/05/16.
• 2、 -. "IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS". Page/Page column 97-98. . Retrieved 2012/11/13.