2-Ethyl-1,3-dinitrobenzene

Base Information

• Chemical Name: 2-Ethyl-1,3-dinitrobenzene
• CAS No.: 13985-56-3
• Molecular Formula: C8H8N2O4
• Molecular Weight: 196.163
• Hs Code.: 2904209090
• European Community (EC) Number: 237-777-2
• UNII: R7KU3U5TSZ
• DSSTox Substance ID: DTXSID30161178
• Nikkaji Number: J141.710J
• Wikidata: Q83029532
• Mol file: 13985-56-3.mol

Synonyms:2-Ethyl-1,3-dinitrobenzene;13985-56-3;EINECS 237-777-2;R7KU3U5TSZ;Benzene, 2-ethyl-1,3-dinitro-;UNII-R7KU3U5TSZ;ethyl 1,3-dinitrobenzene;1-Ethyl-2,6-dinitrobenzene;SCHEMBL8361517;2,6-DINITROETHYLBENZENE;DTXSID30161178

Chemical Property of 2-Ethyl-1,3-dinitrobenzene

Chemical Property:

• Vapor Pressure: 0.00707mmHg at 25°C
• Refractive Index: 1.584
• Boiling Point: 278.8 °C at 760 mmHg
• Flash Point: 124 °C
• PSA: 91.64000
• Density: 1.344 g/cm³
• LogP: 3.11180
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 196.04840674
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2-Ethyl-1,3-dinitrobenzene

There total 6 articles about 2-Ethyl-1,3-dinitrobenzene 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: 76.0%

4-ethyl-3,5-dinitrobenzeneamine (702642-25-9) → 2-ethyl-1,3-dinitrobenzene (13985-56-3)

Guidance literature:

4-ethyl-3,5-dinitrobenzeneamine; With sulfuric acid; acetic acid; sodium nitrite; In water; at 20 - 25 ℃; for 1h;

With copper(I) oxide; In ethanol; water; at 20 ℃; for 1.5h;

DOI:10.1002/hlca.200490060

Reference yield: 24.0%

4-ethyl-3,5-dinitro-benzoic acid (477953-15-4) → 2-ethyl-1,3-dinitrobenzene (13985-56-3)

Guidance literature:

With Cu-bronze; In quinoline; Heating;

DOI:10.1081/SCC-120004853

Reference yield:

ethylbenzene (100-41-4,27536-89-6) → 4-ethylnitrobenzene (100-12-9,94234-68-1,34527-20-3) + 2-nitro(ethylbenzene) (612-22-6) + 1-ethyl-2,4-dinitrobenzene (1204-29-1) + 2-ethyl-1,3-dinitrobenzene (13985-56-3)

Guidance literature:

With nitric acid; acetic anhydride; at 0 - 20 ℃; for 0.166667h;

upstream raw materials:

ethylbenzene

4-ethyl-3,5-dinitrobenzeneamine

4-ethyl-3,5-dinitro-benzoic acid

2-ethyl-1,3,5-trinitrobenzene

Downstream raw materials:

2-ethyl-m-phenylenediamine

8-ethyl-7-isothiocyanato-quinoline

2-(2,6-dinitrophenyl)propan-1-ol

2,6-dinitrobenzoic acid