9-Oxofluoren-4-carbonsure

9-Oxofluorene-4-carboxylic acid

HCID 80361CAS 6223-83-2

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Grundinformationen

Standard-SMILES: O=C(O)c1cccc2c1-c1ccccc1C2=O
InChIKey: AFQYQSWTVCNJQT-UHFFFAOYSA-N
Summenformel: C14H8O3
Durchschnittliche Molmasse: 224,21 g/mol
Monoisotopische Masse: 224,04734412

Namen und Bezeichner

Bevorzugter Name: 9-Oxofluorene-4-carboxylic acid
IUPAC: 9-oxofluorene-4-carboxylic acid
Lokaler Name: 9-Oxofluoren-4-carbonsure
Englischer Name: 9-Fluorenone-4-carboxylic acid
Summenformel: C14H8O3
Molmasse: 224.21

Namen und Synonyme

9-Oxo-9H-fluorene-4-carboxylic acid6223-83-29-Fluorenone-4-carboxylic acid9-Oxofluorene-4-carboxylic acid4-carboxy-9-fluorenoneEINECS 228-311-98J569W5Y6GFLUORENONE-5-CARBOXYLIC ACIDNSC-27908fluorenone-4-carboxylic acidFLUORENE-4-CARBOXYLIC ACID, 9-OXO-DTXSID10211281

Weitere Namen anzeigen

RARECHEM AL BO 11769-Fluorenone-4-carbo9-Oxofluoren-4-carbonsure9-oxo-4-fluorenecarboxylate9-Fluorenone-4-carboxylicaci9-OXO-4-FLUORENECARBOXYLIC ACID

NSC 27908RefChem:108163DTXCID10133772228-311-9AFQYQSWTVCNJQT-UHFFFAOYSA-NMFCD000011459H-Fluorene-4-carboxylic acid, 9-oxo-AKOS001581033

Datenbank-Bezeichner

CAS: 6223-83-2
PubChem CID: 80361
DTXSID: DTXSID10211281
UNII: 8J569W5Y6G
EC Number: 228-311-9
Nikkaji: J211.464J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 54,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 17
Formalladung: 0
Komplexität: 349

Physikochemische Eigenschaften

Schmelzpunkt: 225 · 225-227 °C(lit.)
Siedepunkt: 476.5 · 476.5±24.0 °C(Predicted)
Dichte: 1.424 · 1.424±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 3.46 · 3.46±0.20(Predicted)
Farbe: Light orange to Yellow to Green
BRN: 2694801 · 2694801
InChI: InChI=1S/C14H8O3/c15-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(16)17/h1-7H,(H,16,17)
InChIKey: AFQYQSWTVCNJQT-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C2=C1C=CC=C2C(O)=O
CAS Datenbank: 6223 · 6223-83-2(CAS DataBase Reference)
NIST chemische Informationen: 9 · 9-Fluorenone-4-carboxylic acid(6223-83-2)

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.