3,9-Dinitrofluoranthene

Base Information

• Chemical Name: 3,9-Dinitrofluoranthene
• CAS No.: 22506-53-2
• Molecular Formula: C₁₆H₈N₂O₄
• Molecular Weight: 292.251
• Hs Code.: 2904209090
• UNII: I5MM6K7AJL
• DSSTox Substance ID: DTXSID40177028
• Nikkaji Number: J388.006K
• Wikidata: Q27155876
• ChEMBL ID: CHEMBL353151
• Mol file: 22506-53-2.mol

Synonyms:3,9-dinitrofluoranthene

Chemical Property of 3,9-Dinitrofluoranthene

Chemical Property:

• Vapor Pressure: 1.3E-10mmHg at 25°C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 525.6°Cat760mmHg
• Flash Point: 268.2°C
• PSA: 91.64000
• Density: 1.574g/cm³
• LogP: 5.35000
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 292.04840674
• Heavy Atom Count: 22
• Complexity: 486

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC2=C(C=CC3=C2C(=C1)C4=C3C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 3,9-Dinitrofluoranthene

There total 6 articles about 3,9-Dinitrofluoranthene 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-Acetamido-3-nitro-fluoranthen (22506-49-6) → 3,9-Dinitro-fluoranthen (22506-53-2)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. HCl / ethanol

2: (i) aq. NaNO₂, H₂SO₄, (ii) H₃PO₂

3: HNO₃, Ac₂O

With hydrogenchloride; nitric acid; acetic anhydride; In ethanol;

DOI:10.1139/v69-262

Reference yield:

2-Acetamidofluoranthene (13823-55-7) → 3,9-Dinitro-fluoranthen (22506-53-2)

Guidance literature:

Multi-step reaction with 4 steps

1: HNO₃, Ac₂O / acetic acid

2: aq. HCl / ethanol

3: (i) aq. NaNO₂, H₂SO₄, (ii) H₃PO₂

4: HNO₃, Ac₂O

With hydrogenchloride; nitric acid; acetic anhydride; In ethanol; acetic acid;

DOI:10.1139/v69-262

Reference yield:

3-nitrofluoranthene (892-21-7) → 3,9-Dinitro-fluoranthen (22506-53-2)

Guidance literature:

With nitric acid; acetic anhydride;

DOI:10.1139/v69-262

upstream raw materials:

3-nitrofluoranthene

fluoranthene

2-Amino-3-nitro-fluoranthen

2-Acetamido-3-nitro-fluoranthen