2-Hydroxyfluoren-9-on

2-Hydroxyfluoren-9-one

HCID 81386CAS 6949-73-1

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Grundinformationen

Standard-SMILES: O=C1c2ccccc2-c2ccc(O)cc21
InChIKey: GXUBPHMYNSICJC-UHFFFAOYSA-N
Summenformel: C13H8O2
Durchschnittliche Molmasse: 196,2 g/mol
Monoisotopische Masse: 196,0524295

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxyfluoren-9-one
IUPAC: 2-hydroxyfluoren-9-one
Lokaler Name: 2-Hydroxyfluoren-9-on
Englischer Name: 2-Hydroxy-9-fluorenone
Summenformel: C13H8O2
Molmasse: 196.2

Namen und Synonyme

2-Hydroxyfluoren-9-oneNSC 22835DTXSID00219716EINECS 230-119-5RefChem:473452DTXCID50142207230-119-52-Hydroxy-9H-fluoren-9-one6949-73-1MFCD00001155DR37FXR63QNSC22835

Weitere Namen anzeigen

2-Hydroxyfluorenone.2-Hydroxy-9-fluorenone2-Hydroxy-9-fluorenone>2-Hydroxy-9-fluorenone,97%2-Hydroxy-9-fluorenone in toluene2-[(3-chloroanilino)methylidene]propanedinitrile

2-hydroxy-fluoren-9-oneNSC-228352-Hydroxy-9-fluorenone, 98%9H-Fluoren-9-one, 2-hydroxy-CS-W010597AS-58713H0329Z1255485150

Datenbank-Bezeichner

CAS: 6949-73-1
PubChem CID: 81386
DTXSID: DTXSID00219716
ChEMBL: CHEMBL1998832
UNII: DR37FXR63Q
EC Number: 230-119-5
Nikkaji: J208.569K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 274

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 204 · 204-206 °C(lit.)
Siedepunkt: 293.09 °C · 293.09°C (rough estimate)
Dichte: 1.1482 · 1.1482 (rough estimate)
Brechungsindex: 1.5954 · 1.5954 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Acetone
pka: 9.09 · 9.09±0.20(Predicted)
Aggregatzustand: Powder
Farbe: Yellow to orange
CAS Datenbank: 6949 · 6949-73-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29145090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant involved in:One-pot synthesis of aryl substituted auronesStudies to tune HOMO-LUMO levels of 9-fluorenone scaffoldsO-methylation for synthesis of second-generation light driven rotary molecular motorsReactions with aluminum, gallium compounds, and methylquinolinesSynthesis of acridinyl- and fluorenylidenehydrazido calixarenesAcetylation for synthesis of acetates