2,4,6-Trinitrophenyl acetate

Base Information

• Chemical Name: 2,4,6-Trinitrophenyl acetate
• CAS No.: 7614-96-2
• Molecular Formula: C8H5N3O8
• Molecular Weight: 271.143
• DSSTox Substance ID: DTXSID901308836
• Nikkaji Number: J469.387F
• Mol file: 7614-96-2.mol

Synonyms:2,4,6-trinitrophenyl acetate;picryl acetate;7614-96-2;SCHEMBL11563856;DTXSID901308836

Chemical Property of 2,4,6-Trinitrophenyl acetate

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 271.00766413
• Heavy Atom Count: 19
• Complexity: 384

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 2,4,6-Trinitrophenyl acetate

There total 6 articles about 2,4,6-Trinitrophenyl acetate 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: 75.0%

acetic anhydride (108-24-7) + 2,4,6-Trinitrophenol (88-89-1) → picryl acetate (7614-96-2)

Guidance literature:

copper(II) bis(tetrafluoroborate); In dichloromethane; at 80 ℃; for 1h;

Reference yield:

2,4,6-trinitrochlorobenzene (88-88-0) + sodium acetate (127-09-3) → picryl acetate (7614-96-2)

Guidance literature:

With pyridine; xylene; at 150 ℃;

Reference yield:

Picrate3-acetyl-1-amino-2-cyanomethyl-3H-benzoimidazol-1-ium; → picryl acetate (7614-96-2) + 1-amino-2-cyanomethylbenzimidazole

Guidance literature:

With hydrogenchloride; Yield given. Yields of byproduct given;

DOI:10.1007/BF01184881

upstream raw materials:

2,4,6-trinitrochlorobenzene

sodium acetate

acetic anhydride

2,4,6-Trinitrophenol

Downstream raw materials:

picrate anion

2,4,6-Trinitrophenol

1-piperidin-1-yl-ethanone

4-acetylmorpholine