Indan-2-on
1,3-Dihydro-2H-inden-2-one · Indan-2-one · 1H-inden-2(3H)-one · 2-lndanone · 2-Indene · 2-INDANONE · 2-Indenone · 2-OXOINDANE
Identifikatoren & physikalische Daten
| CAS No. | 615-13-4 |
|---|---|
| Summenformel | C9H8O |
| Durchschnittliche Molmasse | 132,16 g/mol |
| Monoisotopische Masse | 132,05751488 g/mol |
| SMILES | O=C1Cc2ccccc2C1 |
| InChIKey | UMJJFEIKYGFCAT-UHFFFAOYSA-N |
| PubChem CID | 11983 |
| ChEMBL | CHEMBL195557 |
| ChEBI | CHEBI:27930 |
| EC No. | 210-410-3 |
| DTXSID | DTXSID7052288 |
| Lokaler Name | Indan-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 135 |
| SpringerMaterials Properties | Schoenflies notation |
| Duftstoffe | Fragrance Ingredient (2H-Inden-2-one, 1,3-dihydro-) -> IFRA transparency List |
| Schmelzpunkt | 51-54 °C (lit.) |
| Siedepunkt | 218°C |
| Dichte | 1.0712 |
| Brechungsindex | 1.5380 (estimate) |
| Flammpunkt | 212 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)insoluble |
| Aggregatzustand | Crystals or Powder |
| Farbe | Light yellow to yellow-brown |
| Wichte | 1.07 (liquid) |
| Geruch | moderately tenacious odor |
| Geruchsschwelle | 0.00036ppm |
| BRN | 636550 |
| InChI | 1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2 |
| InChIKey | UMJJFEIKYGFCAT-UHFFFAOYSA-N |
| SMILES | O=C1Cc2ccccc2C1 |
| LogP (Verteilungskoeffizient) | 1.230 (est) |
| CAS Datenbank | 615-13-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2H-inden-2-one, 1,3-dihydro-(615-13-4) |
| EPA chemische Informationen | 2-Indanone (615-13-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 97.9% (93 of 95) of all reports.Not ClassifiedAggregated GHS information provided per 95 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 2H-Inden-2-one, 1,3-dihydro-Status: Active Update: 25-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32342 |
| Hazard Classes and Categories | Not Classified |
| F | 3 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29145090 |
| RTECS-Nr. | NK7535500 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Indanone undergoes TiCl4-Mg mediated coupling with CHBr3 to yield dibromomethyl carbinol. It reacts with 5,5-dimethyl-3-pyrazolidinone to yield 5,5-dimethyl-2-(1H-indenyl-2)-3-pyrazolidinone. On photolysis by 266-nm one-photon excitation yields o-xylylene. It was used as starting reagent in the synthesis of indene-fused porphyrins.
Herstellung & Synthese
synthetische
2-Indanone is prepared by using acetic acid as solvent, acetic anhydride as catalyst and through hydrogen peroxide oxidation into 1, 2-indenediol, which reacted with dilute sulfuric acid solution in order to obtain crude 2-indanone. Finally, vacuum sublimation to obtain 2-indanone with high-purity, the total yield is 89%.