HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Hydroxy-1-indanone
5-hydry-1-indanone · IFLAB-BB F2108-0144 · 5-Hydroxyindan-1-one · 5-HYDROXY-1-INDANONE · 5-Hydroxyl-1-indanone · 5-Hydroxy-1-indanone>5-Hydroxy-1-indanone 95% · 5-Hydroxyindan-1-one 97% · 5-hydroxy-2,3-dihydroinden-1-one
Identifikatoren & physikalische Daten
| CAS No. | 3470-49-3 |
|---|---|
| Summenformel | C9H8O2 |
| Durchschnittliche Molmasse | 148,16 g/mol |
| Monoisotopische Masse | 148,0524295 g/mol |
| SMILES | O=C1CCc2cc(O)ccc21 |
| InChIKey | ZRKQOVXGDIZYDS-UHFFFAOYSA-N |
| PubChem CID | 233147 |
| EC No. | 627-457-4 |
| DTXSID | DTXSID70283404 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 176 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 175 °C (dec.) (lit.) |
| Siedepunkt | 251 °C |
| Dichte | 1.305±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 8.15±0.20(Predicted) |
| Farbe | White to Light yellow to Light orange |
| InChI | InChI=1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2 |
| InChIKey | ZRKQOVXGDIZYDS-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=C(O)C=C2)CC1 |
| CAS Datenbank | 3470-49-3(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 42 reports by companies from 5 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 | 29145090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-36/37/39-27 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
5-Hydroxy-1-indanone may be used in the preparation of (5-hydroxy-indan-(1E)-ylidene)-acetic acid and 5-[2-(phenyl)ethoxy]-1-indanone. It may be used as a starting material in the multi-step synthesis of 5H-indeno[1,2-c]pyridazin-5-one analogs.