6,8-Dinitro-4h-1,3-benzodioxine

Base Information

• Chemical Name: 6,8-Dinitro-4h-1,3-benzodioxine
• CAS No.: 16607-27-5
• Molecular Formula: C8H6 N2 O6
• Molecular Weight: 226.143
• NSC Number: 159059
• DSSTox Substance ID: DTXSID20303560
• Wikidata: Q82048911
• Mol file: 16607-27-5.mol

Synonyms:16607-27-5;6,8-dinitro-4h-1,3-benzodioxine;NSC159059;DTXSID20303560;AKOS024333856;NSC-159059;6,8-DINITRO-1,3-BENZODIOXANE

Chemical Property of 6,8-Dinitro-4h-1,3-benzodioxine

Chemical Property:

• Vapor Pressure: 3.03E-06mmHg at 25°C
• Boiling Point: 400°C at 760 mmHg
• Flash Point: 206.2°C
• Density: 1.592g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 226.02258592
• Heavy Atom Count: 16
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OCO1

Technology Process of 6,8-Dinitro-4h-1,3-benzodioxine

There total 2 articles about 6,8-Dinitro-4h-1,3-benzodioxine 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:

4H-benzo[1,3]dioxine (254-27-3) → 6,8-dinitro-4H-benzo[1,3]dioxin (16607-27-5)

Guidance literature:

With nitric acid; uronium nitrate;

DOI:10.1039/jr9310002492

Reference yield:

nitro-6 benzo (4H) dioxinne-1,3 (6963-03-7) → 6,8-dinitro-4H-benzo[1,3]dioxin (16607-27-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; zinc; concentrated aqueous hydrochloric acid / Behandeln des Reaktionsgemisches mit Natriumnitrit

2: urea nitrate; nitric acid

With hydrogenchloride; ethanol; nitric acid; uronium nitrate; zinc;

DOI:10.1039/jr9310002492

Reference yield:

6,8-dinitro-4H-benzo[1,3]dioxin (16607-27-5) + phenylmethanethiol (100-53-8) → 2-Benzylthiomethyl-4.6-dinitro-phenol (16607-30-0)

Guidance literature:

With zinc(II) chloride; In xylene; at 140 ℃; for 24h;

DOI:10.1021/jo01270a102

upstream raw materials:

4H-benzo[1,3]dioxine

nitro-6 benzo (4H) dioxinne-1,3

Downstream raw materials:

2-Methoxymethyl-4.6-dinitro-phenol

2-Aethoxymethyl-4.6-dinitro-phenol

2-Isoamyloxymethyl-4.6-dinitro-phenol

2-n-Pentyloxymethyl-4.6-dinitro-phenol