2-Chloro-5-methyl-3-nitropyridine

Base Information

• Chemical Name: 2-Chloro-5-methyl-3-nitropyridine
• CAS No.: 23056-40-8
• Molecular Formula: C6H5ClN2O2
• Molecular Weight: 172.571
• Hs Code.: 29333990
• European Community (EC) Number: 624-905-0
• DSSTox Substance ID: DTXSID20355943
• Nikkaji Number: J2.646.091C
• Wikidata: Q72454410
• Mol file: 23056-40-8.mol

Synonyms:2-Chloro-5-methyl-3-nitropyridine;23056-40-8;2-Chloro-3-nitro-5-picoline;Pyridine, 2-chloro-5-methyl-3-nitro-;2-chloro-3-nitro-5-methylpyridine;2-chloro-5-methyl-3-nitro-pyridine;MFCD02070020;5-methyl-2-chloro-3-nitropyridine;6-Chloro-5-nitro-3-picoline;SCHEMBL541340;LUAJUWOJEFFNFE-UHFFFAOYSA-;DTXSID20355943;2-Chloro-5-methyl-3-nitropyrinedi;5-Methyl-3-nitro-2-chloropyridine;BCP22142;AKOS005255346;2-chloranyl-5-methyl-3-nitro-pyridine;AS-5505;DS-0653;AC-23211;SY019168;2-Chloro-5-methyl-3-nitropyridine, 97%;AM20070100;C2022;CS-0007514;FT-0648117;EN300-91647;A816621;AF-753/00294045;J-508861

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

Chemical Property:

• Appearance/Colour: Beige powder
• Vapor Pressure: 0.00353mmHg at 25°C
• Melting Point: 46-50 °C
• Refractive Index: 1.575
• Boiling Point: 290.8 °C at 760 mmHg
• PKA: -2.20±0.10(Predicted)
• Flash Point: 129.7 °C
• PSA: 58.71000
• Density: 1.406 g/cm³
• LogP: 2.47480
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Hygroscopic
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.0039551
• Heavy Atom Count: 11
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-21/22-41-37/38-22
• Safety Statements: 36/37/39-26-36-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(N=C1)Cl)[N+](=O)[O-]

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

There total 5 articles about 2-Chloro-5-methyl-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: 97.0%

2-hydroxy-5-methyl-3-nitropyridine (7464-14-4) → 2-chloro-5-methyl-3-nitro-pyridine (23056-40-8)

Guidance literature:

With benzyltrimethylammonium chloride; trichlorophosphate; In acetonitrile; for 6h; Heating;

Reference yield: 76.0%

5-methyl-3-nitropyridin-2(1H)-one (7464-14-4) → 2-chloro-5-methyl-3-nitro-pyridine (23056-40-8)

Guidance literature:

With pyridine; trichlorophosphate; In chlorobenzene; for 1h; Heating;

DOI:10.1016/0022-328X(95)05979-Y

Reference yield:

5-methyl-pyridin-2-ol (1003-68-5,91914-06-6) → 2-chloro-5-methyl-3-nitro-pyridine (23056-40-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid / water / 18 h / 60 °C

2: thionyl chloride / N,N-dimethyl-formamide / 3 h / 110 °C

With thionyl chloride; sulfuric acid; nitric acid; In water; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2013.03.119

upstream raw materials:

2-hydroxy-5-methyl-3-nitropyridine

5-methyl-3-nitropyridin-2(1H)-one

(5-methyl-pyridin-2-yl)amine

5-methyl-pyridin-2-ol

Downstream raw materials:

3-nitro-5-methyl-2-hydrazine-pyridine

6-methyl-8-nitro-tetrazolopyridin

5-Methyl-2-(1-methyl-1H-imidazol-2-ylsulfanyl)-3-nitro-pyridine

2-methoxy-5-methyl-3-nitropyridine