2-Ethyl-1,3,5-trinitrobenzene

Base Information

• Chemical Name: 2-Ethyl-1,3,5-trinitrobenzene
• CAS No.: 13985-60-9
• Molecular Formula: C8H7 N3 O6
• Molecular Weight: 241.16
• Hs Code.: 2904209090
• European Community (EC) Number: 237-778-8
• UNII: 9UX7T559VE
• DSSTox Substance ID: DTXSID90161179
• Nikkaji Number: J216.803K
• Wikidata: Q83029535
• Mol file: 13985-60-9.mol

Synonyms:2-Ethyl-1,3,5-trinitrobenzene;13985-60-9;2,4,6-Trinitroethylbenzene;BENZENE, 2-ETHYL-1,3,5-TRINITRO-;Ethyl-2,4,6-trinitrobenzene;BRN 2001103;2-Ethyl-1,3,5-trinitro-benzene;EINECS 237-778-8;9UX7T559VE;1-ethyl-2,4,6-trinitrobenzene;4-05-00-00916 (Beilstein Handbook Reference);UNII-9UX7T559VE;SCHEMBL4000997;DTXSID90161179;LS-30348

Chemical Property of 2-Ethyl-1,3,5-trinitrobenzene

Chemical Property:

• Vapor Pressure: 0.000203mmHg at 25°C
• Boiling Point: 337.6°C at 760 mmHg
• Flash Point: 159.3°C
• PSA: 137.46000
• Density: 1.528g/cm³
• LogP: 3.54320
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 241.03348495
• Heavy Atom Count: 17
• Complexity: 306

Purity/Quality:

98%Min ^*data from raw suppliers

2-ETHYL-1,3,5-TRINITRO-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Ethyl-1,3,5-trinitrobenzene

There total 3 articles about 2-Ethyl-1,3,5-trinitrobenzene 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:

ethylbenzene (100-41-4,27536-89-6) → 4-ethylnitrobenzene (100-12-9,94234-68-1,34527-20-3) + 2-nitro(ethylbenzene) (612-22-6) + 2-ethyl-1,3,5-trinitrobenzene (13985-60-9)

Guidance literature:

DOI:10.1007/BF01526809

Reference yield:

ethylbenzene (100-41-4,27536-89-6) → 2-ethyl-1,3,5-trinitrobenzene (13985-60-9)

Guidance literature:

With sulfuric acid; nitric acid; Erwaermen auf 100grad;

DOI:10.1007/BF01526809

Reference yield:

1-ethyl-2,4-dinitrobenzene (1204-29-1) → 2-ethyl-1,3,5-trinitrobenzene (13985-60-9)

Guidance literature:

DOI:10.1007/BF01526809

upstream raw materials:

ethylbenzene

1-ethyl-2,4-dinitrobenzene

Downstream raw materials:

4-ethyl-3,5-dinitrobenzeneamine

2,6-dinitrobenzoic acid