2,2-Dinitropropyl acetate

Base Information

• Chemical Name: 2,2-Dinitropropyl acetate
• CAS No.: 5917-69-1
• Molecular Formula: C5H8N2O6
• Molecular Weight: 192.1268
• NSC Number: 166460
• DSSTox Substance ID: DTXSID30304609
• Nikkaji Number: J339.544H
• Wikidata: Q82050640
• Mol file: 5917-69-1.mol

Synonyms:2,2-dinitropropyl acetate;5917-69-1;NSC166460;DTXSID30304609;NSC-166460

Chemical Property of 2,2-Dinitropropyl acetate

Chemical Property:

• Vapor Pressure: 0.185mmHg at 25°C
• Boiling Point: 211.1°Cat760mmHg
• Flash Point: 84.4°C
• Density: 1.37g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 192.03823598
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2-Dinitropropyl acetate

There total 2 articles about 2,2-Dinitropropyl 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:

2,2-dinitropropanol (918-52-5) + acetic acid (64-19-7,77671-22-8) → <2,2-Dinitro-propyl>-acetat (5917-69-1)

Guidance literature:

With trifluoroacetic anhydride;

DOI:10.1021/jo01070a513

Reference yield:

2,2-dinitropropanol (918-52-5) + acetyl chloride (75-36-5) → <2,2-Dinitro-propyl>-acetat (5917-69-1)

Guidance literature:

In pyridine; dichloromethane;

DOI:10.1021/jo01044a537

upstream raw materials:

2,2-dinitropropanol

acetic acid

acetyl chloride