2-(2,4,6-Trinitrophenoxy)ethan-1-ol

Base Information

• Chemical Name: 2-(2,4,6-Trinitrophenoxy)ethan-1-ol
• CAS No.: 6478-31-5
• Molecular Formula: C8H7N3O8
• Molecular Weight: 273.159
• DSSTox Substance ID: DTXSID70524627
• Wikidata: Q82391626
• Mol file: 6478-31-5.mol

Synonyms:6478-31-5;2-(2,4,6-Trinitrophenoxy)ethan-1-ol;DTXSID70524627

Chemical Property of 2-(2,4,6-Trinitrophenoxy)ethan-1-ol

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 273.02331419
• Heavy Atom Count: 19
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2,4,6-Trinitrophenoxy)ethan-1-ol

There total 8 articles about 2-(2,4,6-Trinitrophenoxy)ethan-1-ol 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: 70.0%

2,4,6-trinitrochlorobenzene (88-88-0) + sodium 2-hydroxyethoxide (7388-28-5,10604-71-4,24768-69-2,26915-75-3,50856-01-4,92004-30-3) → 1-(2-hydroxyethoxy)-2,4,6-trinitrobenzene (6478-31-5)

Guidance literature:

In 1,4-dioxane; ethylene glycol; for 1h; Ambient temperature;

Reference yield:

C8H6N3O8(1-) (54846-61-6) → 1-(2-hydroxyethoxy)-2,4,6-trinitrobenzene (6478-31-5)

Guidance literature:

With potassium methanolate; benzenesulfonic acid; In methanol; at 20 ℃; Rate constant; Equilibrium constant; pH > 9.5; other buffer acidic species;

DOI:10.1021/jo00223a031

Reference yield:

2,4,6-trinitrochlorobenzene (88-88-0) + ethylene glycol (107-21-1) → 1-(2-hydroxyethoxy)-2,4,6-trinitrobenzene (6478-31-5)

Guidance literature:

With 1,4-dioxane; sodium hydroxide;

upstream raw materials:

2,4,6-trinitrochlorobenzene

ethylene glycol

sodium 2-hydroxyethoxide

(6,8,10-trinitro-1,4-dioxaspiro<4,5>deca-6,9-dienato)sodium

Downstream raw materials:

1-(2-acetoxyethoxy)-2,4,6-trinitrobenzene

2-picryloxyethyl nitrate