5-Chloro-2-fluoro-3-nitropyridine

Base Information

• Chemical Name: 5-Chloro-2-fluoro-3-nitropyridine
• CAS No.: 60186-16-5
• Molecular Formula: C5H2ClFN2O2
• Molecular Weight: 176.53
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50483647
• Wikidata: Q72451013
• Mol file: 60186-16-5.mol

Synonyms:5-chloro-2-fluoro-3-nitropyridine;60186-16-5;MFCD06659522;2-fluoro-3-nitro-5-chloro pyridine;5-chloro-2-fluoro-3-nitro-pyridine;SCHEMBL2711056;DTXSID50483647;QYRFYYRMUFOIKW-UHFFFAOYSA-N;BCP22211;AKOS006346493;Pyridine,5-chloro-2-fluoro-3-nitro-;AB25968;AS-5719;CS-W003323;DS-2175;5-chloranyl-2-fluoranyl-3-nitro-pyridine;AC-24934;SY024683;A8411;FT-0648092;5-chloro-2-fluoro-3-nitropyridine, AldrichCPR;A832635;J-517298

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

Chemical Property:

• Vapor Pressure: 0.027mmHg at 25°C
• Melting Point: 23 °C
• Refractive Index: 1.56
• Boiling Point: 254.744 °C at 760 mmHg
• PKA: -6.75±0.20(Predicted)
• Flash Point: 107.866 °C
• PSA: 58.71000
• Density: 1.595g/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:

95% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 1 articles about 5-Chloro-2-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:

→ 5-chloro-2-fluoro-3-nitropyridine (60186-16-5)

Guidance literature:

2,5-Dichlor-3-nitropyridin, Dimethylsulfon/KF;

Reference yield:

5-chloro-2-fluoro-3-nitropyridine (60186-16-5) + (S)-N-(1-aminobutan-2-yl)-5-chloro-N-methyl-2-(2H-1,2,3-triazol-2-yl)benzamide → (S)-5-chloro-N-(1-((5-chloro-3-nitropyridin-2-yl)amino)butan-2-yl)-N-methyl-2-(2H-1,2,3-triazol-2-yl)benzamide

Guidance literature:

With 1-methyl-pyrrolidin-2-one; N-ethyl-N,N-diisopropylamine; In acetonitrile; for 3h; Reflux;

Reference yield:

5-chloro-2-fluoro-3-nitropyridine (60186-16-5) → C5H2Cl2FNO2S

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine hydrochloride; iron / water; ethanol / 0.17 h / Reflux

2: acetic acid; sulfur dioxide; copper dichloride; hydrogenchloride; sodium nitrite / water / 0.25 h / -5 °C

With hydrogenchloride; sulfur dioxide; hydroxylamine hydrochloride; iron; acetic acid; copper dichloride; sodium nitrite; In ethanol; water;

DOI:10.1021/jm501268r