1-Chloro-3,5-dimethoxy-2-nitrobenzene

Base Information

• Chemical Name: 1-Chloro-3,5-dimethoxy-2-nitrobenzene
• CAS No.: 90-25-5
• Molecular Formula: C8H8 Cl N O4
• Molecular Weight: 217.609
• European Community (EC) Number: 201-979-9
• DSSTox Substance ID: DTXSID8059005
• Nikkaji Number: J160.885A
• Wikidata: Q81988634
• Mol file: 90-25-5.mol

Synonyms:1-Chloro-3,5-dimethoxy-2-nitrobenzene;90-25-5;Benzene, 1-chloro-3,5-dimethoxy-2-nitro-;EINECS 201-979-9;SCHEMBL364793;DTXSID8059005;AKOS015849936;1-Chloro-2-nitro-3,5-dimethoxybenzene;FT-0613058

Chemical Property of 1-Chloro-3,5-dimethoxy-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 7.93E-05mmHg at 25°C
• Melting Point: 158.5oC
• Boiling Point: 352.2°C at 760 mmHg
• Flash Point: 166.8°C
• PSA: 15.79000
• Density: 1.349g/cm³
• LogP: 2.47630
• 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:

97% ^*data from raw suppliers

2-Methylindole 97 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Chloro-3,5-dimethoxy-2-nitrobenzene

There total 6 articles about 1-Chloro-3,5-dimethoxy-2-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:

1-chloro-3,5-dimethoxybenzene (7051-16-3) → chloro-dimethoxynitrobenzene (90-25-5)

Guidance literature:

With nitric acid; acetic anhydride; at 20 ℃;

DOI:10.1039/jr9340001433

Reference yield:

3-chloro-5-methoxyphenol (65262-96-6) → chloro-dimethoxynitrobenzene (90-25-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous NaOH / 30 °C

2: acetic acid anhydride; nitric acid / 20 °C

With sodium hydroxide; nitric acid; acetic anhydride;

DOI:10.1039/jr9340001433

Reference yield:

5-chloro-6-nitroso-3-methoxy-phenol (120030-51-5) → chloro-dimethoxynitrobenzene (90-25-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium ferricyanide; diluted KOH-solution / 60 °C

2: potassium carbonate; xylene

With potassium hydroxide; potassium carbonate; xylene; potassium hexacyanoferrate(III);

upstream raw materials:

1-chloro-3,5-dimethoxybenzene

3,5-dichloro-4-nitroanisole

sodium methylate

3-chloro-5-methoxy-2-nitro-phenol

Refernces