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Fluoren-1-carbonsure
1-FluorenecarboxylicAci · 1-Fluorenecarboxylic acid · FLUORENE-1-CARBOXYLIC ACID · 1-FluorenecarboxylicAcid>9H-FLUORENE-1-CARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 6276-03-5 |
|---|---|
| Summenformel | C14H10O2 |
| Durchschnittliche Molmasse | 210,23 g/mol |
| Monoisotopische Masse | 210,06807956 g/mol |
| SMILES | O=C(O)c1cccc2c1Cc1ccccc1-2 |
| InChIKey | HTPXFGUCAUTOEL-UHFFFAOYSA-N |
| PubChem CID | 80468 |
| EC No. | 228-472-5 |
| DTXSID | DTXSID40211830 |
| Lokaler Name | Fluoren-1-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 286 |
| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
| Physical Description | Powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 246-248 °C (lit.) |
| Siedepunkt | 100 °C / 12mmHg |
| Dichte | 1.306±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Tetrahydrofuran |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 4.11±0.20(Predicted) |
| Farbe | Light orange to Yellow to Green |
| InChI | 1S/C14H10O2/c15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,15,16) |
| InChIKey | HTPXFGUCAUTOEL-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cccc-2c1Cc3ccccc-23 |
| CAS Datenbank | 6276-03-5(CAS DataBase Reference) |
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)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. |
|---|---|
| Gefahrenübersicht | May cause irritation[Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36/37/39-27-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Fluorenecarboxylic Acid is an intermediate used in the synthesis of Fluoren-1-ol (F462450), which is a metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects. It is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population. Also, it possesses interface electronic properties. Achiral fluorescent agent.