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Cas Database |
| Name |
9-Fluorenone |
EINECS | 207-630-7 |
| CAS No. | 486-25-9 | Density | 1.244 g/cm3 |
| PSA | 17.07000 | LogP | 2.89800 |
| Solubility | insoluble in water | Melting Point |
80-83 °C(lit.) |
| Formula | C13H8O | Boiling Point | 341.499 °C at 760 mmHg |
| Molecular Weight | 180.206 | Flash Point | 144.142 °C |
| Transport Information | N/A | Appearance | yellow flakes, chips or crystalline powder |
| Safety | 24/25-36/37/39-27-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Fluoren-9-one(8CI);Fluorenone;NSC 5181; |
Article Data | 709 |
9-Fluorenone Synthetic route
| Conditions | Yield |
|---|---|
| With sodium perborate In acetic acid for 1.5h; steam bath; | 100% |
| With (NMe4)*2H2O*CH3CN (L = ortho-phenylenebis(N'-methyloxamidate)); oxygen; pivalaldehyde In acetonitrile for 2h; Ambient temperature; | 98% |
| With thionyl chloride for 2h; Heating; | 91% |
| Conditions | Yield |
|---|---|
| With aluminum oxide; potassium permanganate In 1,2-dichloro-ethane for 118h; Product distribution; Ambient temperature; other reagent, reaction time; | 100% |
| With potassium hydroxide; 18-crown-6 ether; oxygen In 1,2-dimethoxyethane at 20℃; for 1h; | 100% |
| With aluminum oxide; potassium permanganate; water In 1,2-dichloro-ethane for 118h; Ambient temperature; | 100% |
| Conditions | Yield |
|---|---|
| With potassium carbonate; chlorobenzene In toluene at 105℃; for 12h; | 100% |
| With potassium osmate(VI) dihydrate; potassium carbonate; potassium hexacyanoferrate(III) In water; acetonitrile at 60℃; for 0.5h; chemoselective reaction; | 100% |
| With chromium(VI) oxide; methyl-tridecylammonium chloride; sodium perborate In water; benzene at 60℃; for 24h; | 99% |
- 67-56-1
methanol
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4',4'-dimethyl-3'-phenylfluorene-9-spiro-2'-oxazolidin-5'-one
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9-fluorenone
| Conditions | Yield |
|---|---|
| With sulfuric acid for 8h; Heating; other characteristic reaction (with hydroxylamine); | 100% |
| Conditions | Yield |
|---|---|
| With trichloroisocyanuric acid; silver nitrate In water; acetonitrile Ambient temperature; | 100% |
| With hydrogenchloride; dihydrogen peroxide In methanol Ambient temperature; | 98% |
| With t-butyl bromide; dimethyl sulfoxide at 70 - 75℃; for 24h; | 95% |
| Conditions | Yield |
|---|---|
| With oxygen; methylene blue In dichloromethane at -78℃; for 0.0833333h; Irradiation; other reagent; | A 100% B n/a |
| With oxygen; methylene blue In dichloromethane Quantum yield; Irradiation; |
| Conditions | Yield |
|---|---|
| With tert-butylhypochlorite In tetrachloromethane for 1h; Ambient temperature; other reagent; | A n/a B 100% |
| Conditions | Yield |
|---|---|
| With cesium pivalate; palladium(0)bis(tricyclohexylphosphine) In N,N-dimethyl-formamide at 110℃; under 760.051 Torr; for 7h; Carbonylation; cyclization; | 100% |
| With tristricyclohexylphosphine palladium(0); cesium pivalate In N,N-dimethyl-formamide at 110℃; under 760.051 Torr; for 7h; | 100% |
| With palladium diacetate; sodium carbonate; magnesium sulfate; tricyclohexylphosphine tetrafluoroborate; Trimethylacetic acid In toluene at 110℃; under 760.051 Torr; for 25h; Sealed tube; Inert atmosphere; | 86% |
| Conditions | Yield |
|---|---|
| With cesium pivalate; palladium(0)bis(tricyclohexylphosphine) In N,N-dimethyl-formamide at 110℃; under 760.051 Torr; for 7h; Carbonylation; cyclization; | 100% |
| With tristricyclohexylphosphine palladium(0); cesium pivalate In N,N-dimethyl-formamide at 110℃; under 760.051 Torr; for 7h; | 100% |
| With chloro(1,5-cyclooctadiene)rhodium(I) dimer; sodium carbonate In 5,5-dimethyl-1,3-cyclohexadiene at 130℃; for 48h; Reagent/catalyst; Inert atmosphere; | 58% |
| With 1,10-Phenanthroline; palladium diacetate In 1,2-dichloro-ethane at 120℃; under 760.051 Torr; for 8h; | 5% |
| Conditions | Yield |
|---|---|
| With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide at 25℃; for 5h; | 99% |
9-Fluorenone Chemical Properties
Molecular Structure:
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Molecular Formula: C13H8O
Molecular Weight: 180.202
IUPAC Name: Fluoren-9-one
Synonyms of 9H-Fluoren-9-one (CAS NO.486-25-9): 9-Fluorenone ; 9-Oxofluorene ; 9H-Fluoren-9-one ; AI3-00858 ; CCRIS 593 ; Diphenylene ketone ; EINECS 207-630-7 ; Fluoren-9-one ; Fluorenone ; HSDB 5490 ; NSC 5181
CAS NO: 486-25-9
Classification Code: Drug / Therapeutic Agent ; Mutation data ; Tumor data
Melting point: 80-83 °C
Index of Refraction: 1.667
Molar Refractivity: 53.92 cm3
Molar Volume: 144.8 cm3
Surface Tension: 52.3 dyne/cm
Density: 1.244 g/cm3
Flash Point: 144.1 °C
Enthalpy of Vaporization: 58.52 kJ/mol
Boiling Point: 341.5 °C at 760 mmHg
Vapour Pressure: 8.01E-05 mmHg at 25°C
9-Fluorenone Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 2gm/kg (2000mg/kg) | Pharmaceutical Chemistry Journal Vol. 23, Pg. 325, 1989. |
9-Fluorenone Consensus Reports
9H-Fluoren-9-one (CAS NO.486-25-9) is reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
9-Fluorenone Safety Profile
Hazard Codes of 9H-Fluoren-9-one (CAS NO.486-25-9): 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36/37/39-27-26
S24/25: Avoid contact with skin and eyes.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S27: Take off immediately all contaminated clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: LL8925000
Hazard Note: Irritant
HS Code: 29143900
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
9-Fluorenone Specification
1. Fire Fighting Measures of 9H-Fluoren-9-one (CAS NO.486-25-9)
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
2. Handling and Storage
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Keep container closed when not in use.
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