Grundinformationen
- Standard-SMILES
O=C1c2ccccc2-c2ccccc21- InChIKey
YLQWCDOCJODRMT-UHFFFAOYSA-N- Summenformel
- C13H8O
- Durchschnittliche Molmasse
- 180,2 g/mol
- Monoisotopische Masse
- 180,05751487
Namen und Bezeichner
- Bevorzugter Name
- Fluorenone
- IUPAC
- fluoren-9-one
- Lokaler Name
- Fluoren-9-on
- Englischer Name
- 9-Fluorenone
- Summenformel
- C13H8O
- Molmasse
- 180.2
Namen und Synonyme
9-Fluorenone486-25-99H-Fluoren-9-oneFluoren-9-oneFLUORENONEDiphenylene ketone9-OxofluoreneDTXSID6049307AZ9T83S2AQNSC-5181DTXCID5029263CHEBI:17922
Weitere Namen anzeigen
9-FLUORENONuorenoneDluoren-9-one9-Fluoreneone
RefChem:6603207-630-7C13H8OMFCD000011419H-Fluorene-9-oneCHEMBL571655CCRIS 593HSDB 5490
Datenbank-Bezeichner
- CAS
486-25-9- PubChem CID
- 10241
- DTXSID
DTXSID6049307- ChEMBL
CHEMBL571655- ChEBI
CHEBI:17922- UNII
- AZ9T83S2AQ
- EC Number
- 207-630-7
- Nikkaji
- J2.596H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 222
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 · 80-83 °C (lit.)
- Siedepunkt
- 342 °C · 342 °C (lit.)
- Dichte
- 0 · 0,9 g/cm3
- Dampfdruck
- 0.005 · 0.005-0.2Pa at 20-50℃
- Brechungsindex
- 1.6309 · 1.6309 (estimate)
- Flammpunkt
- 163 °C · 163 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Crystalline Powder or Flakes
- Farbe
- Yellow
- Wasserlöslichkeit
- insoluble
- BRN
- 1636531 · 1636531
- Henry's Law Constant
- 6.4 · 6.4×100 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
- InChIKey
- YLQWCDOCJODRMT-UHFFFAOYSA-N
- SMILES
- O=C1c2ccccc2-c3ccccc13
- LogP
- 3.25 at · 3.25 at 25℃ and pH7.7
- CAS Datenbank
- 486 · 486-25-9(CAS DataBase Reference)
- NIST chemische Informationen
- 9 H-Fluoren-9-one · 9H-Fluoren-9-one(486-25-9)
- EPA chemische Informationen
- 9 · 9-Fluorenone (486-25-9)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29143900
- RTECS-Nr.
- LL8925000
- risk_code
- 36/37/38
- Toxizität
- LD50 orally in Rabbit: > 3900 mg/kg
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25-36/37/39-27-26
- Speicherklasse
- 11 - Combustible Solids
- Giftige Stoffe Daten
- 486-25-9(Hazardous Substances Data)
- Hazard Classifications
- Aquatic Chronic 2Eye Irrit. 2
- Selbstentzündungstemperatur
- 608 °C
Chemie und Industrie
Anwendungen
Beschreibung9-fluorenone is an important intermediate for organic synthesis. It can be used to manufacture a variety of fine chemicals, mainly used as a modifier for the production of polymer materials, bisphenol fluorene, fluorenyl benzoxazine resin, acrylic resin, polyester, polycarbonate and epoxy resin. In the laboratory, fluorene was used as the raw material, dimethyl sulfoxide as the solvent, sodium hydroxide as the catalyst and oxygen as the oxidant. The oxidizing reaction was carried out by a tower packing reactor. The reaction solution was cooled and filtered to obtain a crude fluorenone. The content of crude fluorenone is 93%. We can recover 94% of the solvent and part of the crude fluorenone through distillation of the filtrate. The crude fluorenone is purified by directional crystallization to obtain yellow flaky fluorenone that have a purity of 99.8% or more.
Verwenden9-Fluorenone is used in the preparation of antimalarial drugs. It is a fluorene derivative. Further, it is used in functional polymer and in dyes.
Darstellung
synthetischeFluorenone can be produced by catalytic oxidation of fluorene, or of fluorene fractions in the presence of a quarternary ammonium salt, or by catalytic oxidative cracking (oxicracking) of a suitable aromatic.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: Fluoren-9-one is the simplest member of the class fluoren-9-ones that is 9H-fluorene bearing an oxo substituent at position 9. It has a role as a fungal xenobiotic metabolite.
Zugehörige Reaktionen
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