HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Fluoren-9-carbonsure
9H-FLUORENE-9-CARBOXYLIC ACID · 9-FLUORENECARBOXYLIC ACID · AKOS AUF02021 · FOR INDECAINIDE · 9-Carboxyfluoren · 9-Carboxyfluorene · uorene-9-carboxyL · 9-Fluorenoic acid
Identifikatoren & physikalische Daten
| CAS No. | 1989-33-9 |
|---|---|
| Summenformel | C14H10O2 |
| Durchschnittliche Molmasse | 210,23 g/mol |
| Monoisotopische Masse | 210,06807956 g/mol |
| SMILES | O=C(O)C1c2ccccc2-c2ccccc21 |
| InChIKey | DNVJGJUGFFYUPT-UHFFFAOYSA-N |
| PubChem CID | 74809 |
| ChEMBL | CHEMBL295321 |
| EC No. | 217-866-2 |
| DTXSID | DTXSID6062098 |
| Lokaler Name | Fluoren-9-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 264 |
| LogP (Verteilungskoeffizient) | 2.8 |
| Schmelzpunkt | 228-231 °C(lit.) |
| Siedepunkt | 309.75°C (rough estimate) |
| Dichte | 1.1307 (rough estimate) |
| Brechungsindex | 1.5681 (estimate) |
| Flammpunkt | 230°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 4.59±0.20(Predicted) |
| Farbe | Faint beige |
| Löslichkeit | insoluble |
| BRN | 1911728 |
| InChI | InChI=1S/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16) |
| InChIKey | DNVJGJUGFFYUPT-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)C2=C(C=CC=C2)C2=C1C=CC=C2 |
| CAS Datenbank | 1989-33-9(CAS DataBase Reference) |
| NIST chemische Informationen | 9H-fluorene-9-carboxylic acid(1989-33-9) |
| EPA chemische Informationen | 9H-Fluorene-9-carboxylic acid (1989-33-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 9H-Fluorene-9-carboxylic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29163900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-36/37/39-27-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
9H-Fluorene-9-carboxylic Acid, is a building block in the synthesis of various pharmaceutical and biologically active compounds. It is used in the synthesis of Lomitapide, a drug for the treatment of familial hypercholesterolemia.