2-Chloro-5-nitro-3-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 2-Chloro-5-nitro-3-(trifluoromethyl)pyridine
• CAS No.: 99368-67-9
• Molecular Formula: C6H2N2O2ClF3
• Molecular Weight: 226.542
• Hs Code.: 2933399990
• European Community (EC) Number: 845-783-7
• DSSTox Substance ID: DTXSID00397285
• Wikidata: Q72460304
• Mol file: 99368-67-9.mol

Synonyms:2-chloro-5-nitro-3-(trifluoromethyl)pyridine;99368-67-9;MFCD00792435;Pyridine, 2-chloro-5-nitro-3-(trifluoromethyl)-;SCHEMBL909437;SCHEMBL18863410;AMY6375;DTXSID00397285;AKOS015920199;AB07098;CS-W019821;DS-13840;SY028464;2-Chloro-5-nitro-3-trifluoromethyl-pyridine;FT-0714897;EN300-109595;2-CHLORO-3-TRIFLUOROMETHYL-5-NITROPYRIDINE;2-Chloro-5-nitro-3-(trifluoromethyl)pyridine, 98%;J-508874

Chemical Property of 2-Chloro-5-nitro-3-(trifluoromethyl)pyridine

Chemical Property:

• Boiling Point: 249.4 °C at 760 mmHg
• PKA: -6.04±0.10(Predicted)
• Flash Point: 104.7 °C
• PSA: 58.71000
• Density: 1.618 g/cm³
• LogP: 3.18520
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 225.9756895
• Heavy Atom Count: 14
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-5-nitro-3-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1C(F)(F)F)Cl)[N+](=O)[O-]

Technology Process of 2-Chloro-5-nitro-3-(trifluoromethyl)pyridine

There total 9 articles about 2-Chloro-5-nitro-3-(trifluoromethyl)pyridine 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: 96.0%

5-nitro-3-(trifluoromethyl)pyridine-2-(1H)-one (99368-66-8) → 2-chloro-5-nitro-3-(trifluoromethyl)pyridine (99368-67-9)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 110 - 120 ℃; for 8h;

Reference yield: 86.0%

2-hydroxyl-5-nitro-3-(trifluoromethyl)pyridine (99368-66-8) → 2-chloro-5-nitro-3-(trifluoromethyl)pyridine (99368-67-9)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 100 ℃; for 10h; Temperature;

Reference yield: 30.0%

2,2-difluoro-2-(fluorosulfonyl)acetate (680-15-9) + 2-chloro-3-iodo-5-nitropyridine (25391-60-0) → 2-chloro-5-nitro-3-(trifluoromethyl)pyridine (99368-67-9)

Guidance literature:

With copper(l) iodide; In N,N-dimethyl-formamide; at 70 ℃; for 19h;

upstream raw materials:

5-nitro-3-(trifluoromethyl)pyridine-2-(1H)-one

2-hydroxyl-5-nitro-3-(trifluoromethyl)pyridine

2,2-difluoro-2-(fluorosulfonyl)acetate

2-chloro-3-iodo-5-nitropyridine

Downstream raw materials:

6-chloro-5-(trifluoromethyl)pyridin-3-amine

6-phenyl-5-(trifluoromethyl)pyridin-3-amine

N-(6-phenyl-5-(trifluoromethyl)pyridin-3-yl)acetamide

5-methyl-2-(6-phenyl-5-(trifluoromethyl)pyridin-3-ylamino)benzoic acid