HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Fluorene-9-acetic acid
2-(9H-fluoren-9-yl)acetic acid · 9-Fluoreneacetic · Fluorene-9-aceticaci · 9-FLUORENEACETIC ACID · FLUORENE-9-ACETIC ACID · 9-FLUORENYLACETIC ACID · 9-FluoreneaceticAcid>Fluoroene-9-acetic Acid · 9-Fluoreneacetic acid 99%
Identifikatoren & physikalische Daten
| CAS No. | 6284-80-6 |
|---|---|
| Summenformel | C15H12O2 |
| Durchschnittliche Molmasse | 224,25 g/mol |
| Monoisotopische Masse | 224,08372962 g/mol |
| SMILES | O=C(O)CC1c2ccccc2-c2ccccc21 |
| InChIKey | WFSMJMTYIMFHPV-UHFFFAOYSA-N |
| PubChem CID | 94852 |
| ChEMBL | CHEMBL44381 |
| EC No. | 613-090-7 |
| DTXSID | DTXSID50212015 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 277 |
| Schmelzpunkt | 133-135 °C (lit.) |
| Siedepunkt | 325.66°C (rough estimate) |
| Dichte | 1.1139 (rough estimate) |
| Brechungsindex | 1.6600 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 3.90±0.10(Predicted) |
| Farbe | White to Yellow |
| Löslichkeit | Soluble in water. |
| BRN | 1969039 |
| InChI | 1S/C15H12O2/c16-15(17)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H,16,17) |
| InChIKey | WFSMJMTYIMFHPV-UHFFFAOYSA-N |
| SMILES | OC(=O)CC1c2ccccc2-c3ccccc13 |
| CAS Datenbank | 6284-80-6(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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It was used in preparation of pyrokinin class of insect neuropeptides. It was also used in preparation of N-(9-fluoreneacetyl)-L-leucine.