HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
9-Oxofluoren-2-carbonsure
NSC 81258 · NSC 113321 · 2-Carboxyfluoren-9-one · LABOTEST-BB LT00153934 · 9-oxo-2-fluorenecarboxylate · Fluorenone-2-carboxylicacid · Fluorenone-2-carboxylic acid · 9-Oxo-2-fluorenecarboxyic Acid
Identifikatoren & physikalische Daten
| CAS No. | 784-50-9 |
|---|---|
| Summenformel | C14H8O3 |
| Durchschnittliche Molmasse | 224,21 g/mol |
| Monoisotopische Masse | 224,04734412 g/mol |
| SMILES | O=C(O)c1ccc2c(c1)C(=O)c1ccccc1-2 |
| InChIKey | BJCTXUUKONLPPK-UHFFFAOYSA-N |
| PubChem CID | 69913 |
| EC No. | 212-317-3 |
| DTXSID | DTXSID50229062 |
| Lokaler Name | 9-Oxofluoren-2-carbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 349 |
| Schmelzpunkt | >300 °C (lit.) |
| Siedepunkt | 325.61°C (rough estimate) |
| Dichte | 1.2337 (rough estimate) |
| Brechungsindex | 1.5400 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Fine Powder |
| pKa (Säurekonstante) | 3.85±0.20(Predicted) |
| Farbe | Yellow |
| InChI | 1S/C14H8O3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,(H,16,17) |
| InChIKey | BJCTXUUKONLPPK-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc2-c3ccccc3C(=O)c2c1 |
| CAS Datenbank | 784-50-9(CAS DataBase Reference) |
| NIST chemische Informationen | 9-Fluorenone-2-carboxylic acid(784-50-9) |
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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29183000 |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
9-Fluorenone-2-carboxylic Acid (cas# 784-50-9) is a compound useful in organic synthesis.