2-Ethenyl-1,3,5-trinitrobenzene

Base Information

• Chemical Name: 2-Ethenyl-1,3,5-trinitrobenzene
• CAS No.: 35074-90-9
• Molecular Formula: C8H5N3O6
• Molecular Weight: 239.14200
• Hs Code.: 2904209090
• DSSTox Substance ID: DTXSID00522252
• Nikkaji Number: J284.248C
• Wikidata: Q82387365
• Mol file: 35074-90-9.mol

Synonyms:2-Ethenyl-1,3,5-trinitrobenzene;35074-90-9;109759-59-3;2,4,6-Trinitrostyrene;SCHEMBL8846640;DTXSID00522252

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

Chemical Property:

• Vapor Pressure: 0.000193mmHg at 25°C
• Melting Point: 64-65 °C
• Boiling Point: 338.4±42.0 °C(Predicted)
• PSA: 137.46000
• Density: 1.584±0.06 g/cm3(Predicted)
• LogP: 3.62380
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 239.01783489
• Heavy Atom Count: 17
• Complexity: 330

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-TRINITROSTYRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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

There total 11 articles about 2-Ethenyl-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: 98.0%

2,4,6-trinitro(β-chloroethyl)benzene (40668-65-3) → 2,4,6-Trinitrostyrene (35074-90-9)

Guidance literature:

With sodium acetate; In ethanol; for 3h; Heating;

Reference yield: 96.0%

N-β-(2,4,6-trinitrophenyl)ethylpyridinium chloride (88951-78-4) → 2,4,6-Trinitrostyrene (35074-90-9)

Guidance literature:

With sodium acetate; acetic acid; In ethanol;

Reference yield: 94.0%

methyldiethyl-β-(2,4,6-trinitrophenyl)ethylammonium iodide (88951-76-2) → 2,4,6-Trinitrostyrene (35074-90-9)

Guidance literature:

With sodium acetate; In ethanol;

upstream raw materials:

methyldiethyl-β-(2,4,6-trinitrophenyl)ethylammonium iodide

N-β-(2,4,6-trinitrophenyl)ethylpyridinium chloride

2,4,6-trinitro(β-chloroethyl)benzene

β-(2,4,6-trinitrophenyl)ethyl nitrate

Downstream raw materials:

2-(N-anilino)ethyl-2,4,6-trinitrobenzene

4,6-Dinitroindole

3-(5-nitro-furan-2-yl)-5-(2,4,6-trinitro-phenyl)-4,5-dihydro-isoxazole

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