2-Chloro-3-fluoro-4-nitropyridine

Base Information

• Chemical Name: 2-Chloro-3-fluoro-4-nitropyridine
• CAS No.: 109613-90-3
• Molecular Formula: C5H2ClFN2O2
• Molecular Weight: 176.53
• DSSTox Substance ID: DTXSID30551656
• Wikidata: Q72451009
• Mol file: 109613-90-3.mol

Synonyms:2-Chloro-3-fluoro-4-nitropyridine;109613-90-3;MFCD16251524;Pyridine, 2-chloro-3-fluoro-4-nitro-;SCHEMBL17673221;DTXSID30551656;AKOS015833803;CS-W005819;SB52630;DS-14614;SY114356;W16482;A894992

Chemical Property of 2-Chloro-3-fluoro-4-nitropyridine

Chemical Property:

• PSA: 58.71000
• 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-3-fluoro-4-nitropyridine 97+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-3-fluoro-4-nitropyridine

There total 3 articles about 2-Chloro-3-fluoro-4-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: 36.0%

2-Chlor-3-fluor-4-nitropyridin-1-oxid (101664-56-6) → 2-chloro-3-fluoro-4-nitropyridine (109613-90-3)

Guidance literature:

With phosphorus trichloride; In chloroform; for 2h; Heating;

Reference yield:

2-chloro-3-fluoropyridine (17282-04-1) → 2-chloro-3-fluoro-4-nitropyridine (109613-90-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 64 percent / (CH₃CO)2O, 30percent H₂O₂ / 12 h / 80 °C

2: 44 percent / conc. H₂SO₄/H₂SO₄ (20percent SO₃) (1:1); H₂SO₄ (20percent SO₃)/100percent HNO₃ / 1 h / Heating

3: 36 percent / PCl₃ / CHCl₃ / 2 h / Heating

With sulfuric acid; sulfur trioxide; dihydrogen peroxide; nitric acid; acetic anhydride; phosphorus trichloride; In chloroform;

Reference yield:

2-Chlor-3-fluorpyridin-1-oxid (85386-94-3) → 2-chloro-3-fluoro-4-nitropyridine (109613-90-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 44 percent / conc. H₂SO₄/H₂SO₄ (20percent SO₃) (1:1); H₂SO₄ (20percent SO₃)/100percent HNO₃ / 1 h / Heating

2: 36 percent / PCl₃ / CHCl₃ / 2 h / Heating

With sulfuric acid; sulfur trioxide; nitric acid; phosphorus trichloride; In chloroform;

upstream raw materials:

2-Chlor-3-fluor-4-nitropyridin-1-oxid

2-chloro-3-fluoropyridine

2-Chlor-3-fluorpyridin-1-oxid

Downstream raw materials:

2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-8-amine

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