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

Base Information

• Chemical Name: 1-Chloro-2,5-diethoxy-4-nitrobenzene
• CAS No.: 91-43-0
• Molecular Formula: C10H12ClNO4
• Molecular Weight: 245.663
• Hs Code.: 2909309090
• European Community (EC) Number: 202-067-3
• NSC Number: 60284
• UNII: S410LLV7AF
• DSSTox Substance ID: DTXSID0044739
• Nikkaji Number: J60.216G
• Wikidata: Q27288556
• Mol file: 91-43-0.mol

Synonyms:1-Chloro-2,5-diethoxy-4-nitrobenzene;91-43-0;2,5-Diethoxy-4-nitrochlorobenzene;2,5-Diethoxy-4-Chloronitrobenzene;5-Chloro-2-nitro-p-diethoxybenzene;Benzene, 1-chloro-2,5-diethoxy-4-nitro-;UNII-S410LLV7AF;S410LLV7AF;EINECS 202-067-3;NSC 60284;NSC-60284;NSC60284;4-CHLORO-2,5-DIETHOXYNITROBENZENE;Benzene,5-diethoxy-4-nitro-;SCHEMBL8887345;DTXSID0044739;MFCD00024578;1-chlor-2,5-diethoxy-4-nitrobenzen;AKOS024319058;AS-9148;CS-0330380;FT-0607594;1-NITRO-2,5-DIETHOXY-4-CHLOROBENZENE;W-109335;Q27288556

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

Chemical Property:

• Vapor Pressure: 2.7E-05mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 368.4 °C at 760 mmHg
• Flash Point: 176.6 °C
• PSA: 64.28000
• Density: 1.264 g/cm³
• LogP: 3.56880
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 245.0454856
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

98%min ^*data from raw suppliers

4-CHLORO-2,5-DIETHOXYNITROBENZENE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC(=C(C=C1[N+](=O)[O-])OCC)Cl

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

There total 2 articles about 1-Chloro-2,5-diethoxy-4-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: 78.0%

2-chloro-1,4-diethoxybenzene (52196-74-4) → 1-chloro-2,5-diethoxy-4-nitrobenzene (91-43-0)

Guidance literature:

With HNO₃-SiO₂; In dichloromethane; Sonication;

DOI:10.1016/j.ejmech.2010.11.003

Reference yield:

chloro-p-hydroquinone (615-67-8) → 1-chloro-2,5-diethoxy-4-nitrobenzene (91-43-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 48 h / Reflux

2: HNO₃-SiO₂ / dichloromethane / Sonication

With HNO₃-SiO₂; potassium carbonate; In dichloromethane; acetone;

DOI:10.1016/j.ejmech.2010.11.003

Reference yield: 100.0%

1-chloro-2,5-diethoxy-4-nitrobenzene (91-43-0) → 4-chloro-2,5-diethoxyaniline (35271-60-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 16h;

DOI:10.1016/j.ejmech.2010.11.003

upstream raw materials:

2-chloro-1,4-diethoxybenzene

chloro-p-hydroquinone

Downstream raw materials:

1,4-diethoxy-2-(4-methoxy-phenylsulfanyl)-5-nitro-benzene

1,4-diethoxy-2-(4-methoxy-2,5-dimethyl-phenylsulfanyl)-5-nitro-benzene

4-chloro-2,5-diethoxyaniline

1,4-diethoxy-2-nitro-5-p-tolylsulfanyl-benzene

Refernces