HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2H-Pyran-3(4H)-one, dihydro-
Tetrahydropyran-3-One · oxan-3-one · DIHYDRO-PYRAN-3-ONE · 2H-PYRAN-3(4H)-ONE · tetrahydro-2H-3-pyranone · Tetrahydro-2H-pyran-3-one · 2H-PYRAN-3(4H)-ONE, DIHYD... · 2H-Pypan-3(4H)-one, dihydro-
Identifikatoren & physikalische Daten
| CAS No. | 23462-75-1 |
|---|---|
| Summenformel | C5H8O2 |
| Durchschnittliche Molmasse | 100,12 g/mol |
| Monoisotopische Masse | 100,0524295 g/mol |
| SMILES | O=C1CCCOC1 |
| InChIKey | URUUZIAJVSGYRC-UHFFFAOYSA-N |
| PubChem CID | 90109 |
| EC No. | 813-813-8 |
| DTXSID | DTXSID40178015 |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 78,1 |
| Stoffklassen | Other Classes -> Other Organic Compounds |
| Siedepunkt | 55 °C(Press: 12 Torr) |
| Dichte | 1.0856 g/cm3 |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Aggregatzustand | liquid |
| Farbe | Colourless |
| InChI | InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-4H2 |
| InChIKey | URUUZIAJVSGYRC-UHFFFAOYSA-N |
| SMILES | C1OCCCC1=O |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH226 (40%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | See Tetrahydropyran and 3,4-Dihydropyran. |
| Hazard Classes and Categories | Flam. Liq. 3 (40%) |
| Zollcode | 2932990090 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Dihydro-2H-pyran-3(4H)-one is a general chemical reagent used in the synthesis of pharmaceuticals such as the preparation of tetrahydropyran-2-yl chromans, a highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE) inhibitor.