fluoren-9-one

CAS No. 486-25-9

Formula: C13H8O
Basic Info

Fluorenone is an aromatic organic compound with the chemical formula C13H8O. It is used to make antimalaria drugs. It can synthesised from fluorenol with the addition of glacial acetic acid and sodium hypochlorite solution, undergoing an oxidation reaction. It is bright fluorescent yellow in colour and is a solid at room temperature.

Formula
C13H8O
Molecular Weight
180.202
Exact Mass
180.058
LogP
2.898
PSA
17.07
Synonyms

Diphenylene ketone

9-Oxofluorene

FLUORENONE

9-Fluorenone

9H-Fluoren-9-one

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Properties
Appearance & Physical State
yellow crystalline powder
Density
0.9
Boiling Point
342ºC
Melting Point
81-85ºC
Flash Point
163ºC
Refractive Index
1.6309 (99ºC)
Water Solubility
insoluble
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
Storage Condition
Store at RT.
Vapor Pressure
8.01E-05mmHg at 25°C
Safety Info
RTECS
LL8925000
Safety Statements
S24/25
WGK Germany
3
Risk Statements
R36/37/38
HS Code
2914399090
Hazard Class
4.1
Packing Group
II; III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 400 MHz in CDCl3
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IR Spectrum IR : CCl4 solution
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Mass Spectrum Mass spectrum (electron ionization)
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ESR Spectrum ESR : ANION RADICAL, ELECTROREDUCTION IN DMF
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UV Spectrum UV/Visible spectrum
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Analysis Methods
Kovats' RI, non-polar column, custom temperature program
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
1705.
Temperature Control
Method
custom temperature program
Comments
He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified
Reference
Ramsey, J.D.Lee, T.D.Osselton, M.D.Moffat, A.C.Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analysesJ. Chromatogr.1980, 184, 2, 185-206.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1752.
Temperature Control
Method
temperature ramp
Comments
30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
Reference
Rostad, C.E.Pereira, W.E.Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interestJ. Hi. Res. Chromatogr. Chromatogr. Comm.1986, 9, 6, 328-334.
Van Den Dool and Kratz RI, polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
Supelcowax-10
Retention index
2697.
Temperature Control
Method
temperature ramp
Comments
60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
Reference
Chung, H.Y.Yung, I.K.S.Kim, J.-S.Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methodsJ. Agric. Food Chem.2001, 49, 1, 192-202.
Normal alkane RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
Ultra-1
Retention index
1663.
Temperature Control
Method
temperature ramp
Comments
25. m/0.32 mm/0.25 μm, He, 3. K/min; T<sub>start</sub>: 80. C; T<sub>end</sub>: 260. C
Reference
Okumura, T.retention indices of environmental chemicals on methyl silicone capillary columnJournal of Environmental Chemistry (Japan)1991, 1, 2, 333-358.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
HP-5
Retention index
1746.
Temperature Control
Method
custom temperature program
Comments
30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) =&gt; 3C/min =&gt; 120C =&gt; 10C/min =&gt; 250C (5min)
Reference
Ansorena, D.Astiasarán, I.Bello, J.Influence of the simultaneous addition of the protease flavourzyme and the lipase novozyme 677BG on dry fermented sausage compounds extracted by SDE and analyzed by GC-MSJ. Agric. Food Chem.2000, 48, 6, 2395-2400.

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