2,7-Dinitro-9-fluorenone

Base Information

• Chemical Name: 2,7-Dinitro-9-fluorenone
• CAS No.: 31551-45-8
• Molecular Formula: C13H6 N2 O5
• Molecular Weight: 270.201
• Hs Code.: 29147000
• European Community (EC) Number: 250-695-1
• NSC Number: 86561
• UNII: R33RLL32YX
• DSSTox Substance ID: DTXSID4025163
• Nikkaji Number: J127.544E
• Wikidata: Q72472510
• ChEMBL ID: CHEMBL424175
• Mol file: 31551-45-8.mol

Synonyms:2,7-dinitro-9-fluorenone;2,7-dinitrofluorenone

Chemical Property of 2,7-Dinitro-9-fluorenone

Chemical Property:

• Appearance/Colour: Light green solid.
• Vapor Pressure: 2.71E-10mmHg at 25°C
• Melting Point: 292-295 ºC
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 504.2°Cat760mmHg
• Flash Point: 263.5°C
• PSA: 108.71000
• Density: 1.603g/cm³
• LogP: 3.76080
• Solubility.: DMF: soluble25mg/mL, clear (yellow to yellow-green)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 270.02767130
• Heavy Atom Count: 20
• Complexity: 415

Purity/Quality:

97% ^*data from raw suppliers

2,7-Dinitro-9-fluorenone >98.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36/37-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Polycyclic Aromatic Hydrocarbons
• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C=CC(=C3)[N+](=O)[O-]
• Uses: 2,7-Dinitro-9-fluorenone was used to develop sensor for determination of submicromolar concentrations of selected genotoxic nitro compounds using mercury meniscus modified silver solid amalgam electrode coupled with direct current voltammetry or differential pulse voltammetry. It was used to study mechanism of generation of spontaneous and mutation-induced deletion revertants of hisG428 in Salmonella tester strain TA102 .

Technology Process of 2,7-Dinitro-9-fluorenone

There total 20 articles about 2,7-Dinitro-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: 93.0%

2,7-dinitro-9H-fluorene (5405-53-8) → 2,7-dinitro-9-fluorenone (31551-45-8)

Guidance literature:

With oxygen; potassium hydroxide; In tetrahydrofuran; at 20 ℃; for 8h;

DOI:10.1039/c1gc15136c

Reference yield: 90.0%

9-fluorenone (486-25-9,952573-42-1) → 2,7-dinitro-9-fluorenone (31551-45-8)

Guidance literature:

With sulfuric acid; nitric acid; In water; for 5h; regioselective reaction; Reflux;

DOI:10.1080/00397910902838904

Reference yield: 86.0%

9-oxo-9H-fluorene-2,7-dicarboxylic acid (792-26-7) → 2,7-dinitro-9-fluorenone (31551-45-8)

Guidance literature:

With nitronium tetrafluoborate; silver carbonate; In N,N-dimethyl acetamide; at 90 ℃; for 12h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.5b02133

upstream raw materials:

9-fluorenone

9-Fluorenol

2,7,2',7'-tetranitro-[9,9']bifluorenylidene

2,7-dinitro-9H-fluorene

Downstream raw materials:

2,7-dinitro-fluoren-9-one-phenylhydrazone

2,7-dinitro-fluoren-9-one-oxime

2,7-diaminofluoren-9-one

3,8-dinitro-phenanthridin-6-ol