6-nitro-4H-1,3-benzodioxine

Base Information

• Chemical Name: 6-nitro-4H-1,3-benzodioxine
• CAS No.: 6963-03-7
• Molecular Formula: C8H7 N O4
• Molecular Weight: 181.148
• Hs Code.: 2932999099
• European Community (EC) Number: 841-170-3
• NSC Number: 53708
• DSSTox Substance ID: DTXSID00287970
• Wikidata: Q82024201
• Mol file: 6963-03-7.mol

Synonyms:6-nitro-1,3-benzodioxane

Chemical Property of 6-nitro-4H-1,3-benzodioxine

Chemical Property:

• Vapor Pressure: 0.000176mmHg at 25°C
• Boiling Point: 339.9°Cat760mmHg
• Flash Point: 179°C
• PSA: 64.28000
• Density: 1.391g/cm³
• LogP: 1.98450
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

6-Nitro-1,3-benzodioxane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C2=C(C=CC(=C2)[N+](=O)[O-])OCO1
• Uses: 6-Nitro-1,3-benzodioxane is a useful synthetic intermediate that has anti-arthritic and anti-oxidative effects in rats.

Technology Process of 6-nitro-4H-1,3-benzodioxine

There total 8 articles about 6-nitro-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: 84.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → nitro-6 benzo (4H) dioxinne-1,3 (6963-03-7)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 4h; Heating;

DOI:10.1021/jo00083a015

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + chloromethanol (15454-33-8) → 2-hydroxy-5-nitrobenzyl chloride (2973-19-5) + nitro-6 benzo (4H) dioxinne-1,3 (6963-03-7)

Guidance literature:

With zinc(II) chloride;

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → nitro-6 benzo (4H) dioxinne-1,3 (6963-03-7)

Guidance literature:

With sulfuric acid; In formaldehyd; water;

upstream raw materials:

4H-benzo[1,3]dioxine

formaldehyd

2-hydroxy-5-nitrobenzyl alcohol

4-nitro-phenol

Downstream raw materials:

2-Methoxymethyl-4-nitro-phenol

8-chloromethyl-6-nitro-4H-benzo[1,3]dioxin

4H-benzo[1,3]dioxine

6-amino-1,3-benzodioxane

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