Fluoren-9-ol
Grundinformationen
- CAS
1689-64-1- Standard-SMILES
OC1c2ccccc2-c2ccccc21- InChIKey
AFMVESZOYKHDBJ-UHFFFAOYSA-N- Summenformel
- C13H10O
- Durchschnittliche Molmasse
- 182,22 g/mol
- Monoisotopische Masse
- 182,07316494
Überblick
Fluoren-9-ol is a member of the class of hydroxyfluorenes that is 9H-fluorene substituted by a hydroxy group at position 9 (the non-aromatic carbon). It has a role as an animal metabolite. It is a member of hydroxyfluorenes and a secondary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- Fluoren-9-ol
- IUPAC
- 9H-fluoren-9-ol
- Lokaler Name
- Fluoren-9-ol
- Englischer Name
- 9-Fluorenol
- Summenformel
- C13H10O
- Molmasse
- 182.22
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1689-64-1- PubChem CID
- 74318
- DTXSID
DTXSID4052683- ChEMBL
CHEMBL571548- ChEBI
CHEBI:16904- UNII
- BV0Q72R613
- EC Number
- 216-879-0
- Nikkaji
- J7.758E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 191
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 153 · 153-154 °C(lit.)
- Siedepunkt
- 275.62 °C · 275.62°C (rough estimate)
- Dichte
- 1.0368 · 1.0368 (rough estimate)
- Brechungsindex
- 1.5994 · 1.5994 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.34 · 13.34±0.20(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- Cream
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 1869799 · 1869799
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
- InChIKey
- AFMVESZOYKHDBJ-UHFFFAOYSA-N
- SMILES
- OC1c2ccccc2-c3ccccc13
- CAS Datenbank
- 1689 · 1689-64-1(CAS DataBase Reference)
- NIST chemische Informationen
- 9 H-fluoren-9-ol · 9H-fluoren-9-ol(1689-64-1)
- EPA chemische Informationen
- 9 · 9-Hydroxyfluorene (1689-64-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG III
- hs_code
- 29062990
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25-36/37/39-27-26
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Anwendungen
Verwenden9-Fluorenol is used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.
Darstellung
synthetischeSynthesis of 9-Fluorenol: A 5-g sample of 9-fluorenone is dissolved in 30 mL of warm ethanol in a 100-mL beaker. To this solution is added, dropwise, 10 mL of a reducing reagent, freshly prepared, which consists of 200 mg sodium methoxide,10 mL methanol, and 0.4 g sodium borohydride.This solution is allowed to stand undisturbed for 10-20 min. A color change is observed as the reaction proceeds from the yellow 9-fluorenone to the white 9-fluorenol.The product is precipitated by the addition of 50 mL of water and neutralized with 0.1 M HCl, vacuum filtered, and washed with cold water to remove any residual inorganic salt formed by the excess of the sodium borohydride reagent and hydrochloric acid.The dried crude product is sufficiently pure for characterization by melting point, infrared spectra,and NMR.The crude product melting point is 153°C, with a product yield of 95-100%.A Synthesis of 9-Fluorenol: Sodium Borohydride Reduction of 9-Fluorenone
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
Ergänzende Hinweise
DefinitionChEBI: 9-Fluorenol is a member of the class of hydroxyfluorenes that is 9H-fluorene substituted by a hydroxy group at position 9 (the non-aromatic carbon). It has a role as an animal metabolite. It is a member of hydroxyfluorenes and a secondary alcohol.
Zugehörige Reaktionen
Notizen zur Verbindung
Wird geladen…