2-Nitro-9-fluorenone

Base Information

• Chemical Name: 2-Nitro-9-fluorenone
• CAS No.: 3096-52-4
• Molecular Formula: C13H7 N O3
• Molecular Weight: 225.203
• Hs Code.: 29147000
• European Community (EC) Number: 622-431-9
• NSC Number: 12365
• UNII: 2SC85737SS
• DSSTox Substance ID: DTXSID70184942
• Nikkaji Number: J208.774J
• Wikidata: Q63391635
• Mol file: 3096-52-4.mol

Synonyms:2-nitro-9-fluorenone;2-nitrofluoren-9-one;2-nitrofluorenone

Chemical Property of 2-Nitro-9-fluorenone

Chemical Property:

• Vapor Pressure: 3.13E-07mmHg at 25°C
• Melting Point: 222-223 °C(lit.)
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 419 °C at 760 mmHg
• Flash Point: 215.1 °C
• PSA: 62.89000
• Density: 1.437 g/cm³
• LogP: 3.32940
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 225.042593085
• Heavy Atom Count: 17
• Complexity: 349

Purity/Quality:

98% ^*data from raw suppliers

2-Nitrofluorenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Technology Process of 2-Nitro-9-fluorenone

There total 7 articles about 2-Nitro-9-fluorenone 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: 35.0%

2-aminofluorene (153-78-6) → 2-nitro-9H-fluorene (607-57-8) + 2-nitro-9H-fluoren-9-one (3096-52-4)

Guidance literature:

With tert.-butylhydroperoxide; potassium iodide; In water; acetonitrile; at 80 ℃; for 15h;

DOI:10.1002/adsc.200800641

Reference yield:

9-fluorenone (486-25-9,952573-42-1) → 2,7-dinitro-9-fluorenone (31551-45-8) + 2-nitro-9H-fluoren-9-one (3096-52-4) + 2,5-dinitrofluorenone (53197-58-3) + 3-nitro-9H-fluoren-9-one (42135-22-8) + 1,8-dinitro-fluoren-9-one (116365-50-5)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetic acid; Mechanism; Heating;

Reference yield:

9-Hydroxy-2-nitrofluorene (28149-15-7) + bromamine T (41085-71-6) → 2-nitro-9H-fluoren-9-one (3096-52-4) + toluene-4-sulfonamide (70-55-3)

Guidance literature:

With acetic acid; at 30 ℃; Kinetics; Mechanism; Thermodynamic data; E(activ.), ΔH(activ.), ΔS(activ.), Γ(activ.);

upstream raw materials:

9-fluorenone

9-Hydroxy-2-nitrofluorene

bromamine T

sulfuric acid

Downstream raw materials:

2-amino-9-hydroxyfluorene

(2-phenylazo-fluoren-9-yliden)-aniline

phenanthridine-3,6-diol

phenanthridine-6,8-diol