1-Chloro-2,4-dimethoxy-5-nitrobenzene

Base Information

• Chemical Name: 1-Chloro-2,4-dimethoxy-5-nitrobenzene
• CAS No.: 119-21-1
• Molecular Formula: C8H8 Cl N O4
• Molecular Weight: 217.609
• Hs Code.: 2909309090
• European Community (EC) Number: 204-306-7
• NSC Number: 50662
• UNII: XNE3D7GP2S
• DSSTox Substance ID: DTXSID7059482
• Nikkaji Number: J54.872C
• Wikidata: Q81988822
• Mol file: 119-21-1.mol

Synonyms:1-Chloro-2,4-dimethoxy-5-nitrobenzene;119-21-1;5-Chloro-2,4-dimethoxynitrobenzene;BENZENE, 1-CHLORO-2,4-DIMETHOXY-5-NITRO-;Benzene, 5-chloro-1-nitro-2,4-dimethoxy-;EINECS 204-306-7;NSC 50662;XNE3D7GP2S;BRN 2331671;NSC-50662;C8H8ClNO4;4-06-00-05694 (Beilstein Handbook Reference);2,4-DIMETHOXY-5-CHLORONITROBENZENE;NSC50662;UNII-XNE3D7GP2S;Benzene,4-dimethoxy-5-nitro-;WLN: WNR CG DO1 FO1;DTXSID7059482;SCHEMBL11661312;AKOS023552894;LS-29473;1-Chloro-2,4-dimethoxy-5-nitrobenzene #;CS-0150480;E76534;W-109436

Chemical Property of 1-Chloro-2,4-dimethoxy-5-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.000143mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 343.1°Cat760mmHg
• Flash Point: 161.3°C
• PSA: 64.28000
• Density: 1.349g/cm³
• LogP: 2.78860
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.0141854
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

98% ^*data from raw suppliers

1-Chloro-2,4-dimethoxy-5-nitrobenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1[N+](=O)[O-])Cl)OC

Technology Process of 1-Chloro-2,4-dimethoxy-5-nitrobenzene

There total 15 articles about 1-Chloro-2,4-dimethoxy-5-nitrobenzene 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: 89.0%

3-chloro-2,6-dimethoxy-5-nitrobenzoic acid → 1-chloro-2,4-dimethoxy-5-nitrobenzene (119-21-1)

Guidance literature:

With copper(l) iodide; triethylamine; In dimethyl sulfoxide; at 120 ℃; for 20h; under 760.051 Torr; Inert atmosphere; Schlenk technique;

DOI:10.1039/c5nj02792f

Reference yield: 76.0%

→ 1-chloro-2,4-dimethoxy-5-nitrobenzene (119-21-1)

Guidance literature:

In methanol; at 0 - 20 ℃; for 18h;

Reference yield:

2,4,5-Trichloronitrobenzene (89-69-0) → 1-chloro-2,4-dimethoxy-5-nitrobenzene (119-21-1)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

methanol

2,4,5-Trichloronitrobenzene

1,4-dichloro-2,5-dinitrobenzene

sodium methylate

Downstream raw materials:

4,4'-dichloro-6,6'-dinitro-2,2'-methanediyl-di-resorcinol

4-chloro-5-methoxy-2-nitrophenol

2-chloro-5-methoxy-4-nitrophenol

4-chloro-6-nitro-resorcinol

Refernces

• 1、 -. "ANTIBIOTIC COMPOUNDS". Page/Page column 199; 200. . Retrieved 2018/03/25.