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Cyclopentan-1,1-diessigsaeureanhydrid
8-OXASPIRO[4.5]DECANE-7,9-DIONE · NSC78448 · T5343013 · T21954_ALDRICH · EINECS 227-116-6 · Buspirone Impurity 13 · Refametinib Impurity 6 · 8-Oxaspiro[4.5]decan-7,9-dione
Identifikatoren & physikalische Daten
| CAS No. | 5662-95-3 |
|---|---|
| Summenformel | C9H12O3 |
| Durchschnittliche Molmasse | 168,19 g/mol |
| Monoisotopische Masse | 168,07864424 g/mol |
| SMILES | O=C1CC2(CCCC2)CC(=O)O1 |
| InChIKey | GFWLMILMVMCJDI-UHFFFAOYSA-N |
| PubChem CID | 79743 |
| EC No. | 227-116-6 |
| DTXSID | DTXSID20205196 |
| Lokaler Name | Cyclopentan-1,1-diessigsaeureanhydrid |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 208 |
| Schmelzpunkt | 64-66 °C (lit.) |
| Siedepunkt | 186 °C/15 mmHg (lit.) |
| Dichte | 1.1322 (rough estimate) |
| Brechungsindex | 1.5330 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| Löslichkeit | decomposes |
| BRN | 383703 |
| InChI | 1S/C9H12O3/c10-7-5-9(3-1-2-4-9)6-8(11)12-7/h1-6H2 |
| InChIKey | GFWLMILMVMCJDI-UHFFFAOYSA-N |
| SMILES | O=C1CC2(CCCC2)CC(=O)O1 |
| CAS Datenbank | 5662-95-3(CAS DataBase Reference) |
| NIST chemische Informationen | 3,3-Tetramethyleneglutaric anhydride(5662-95-3) |
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%) |
| F | 9-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29172000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,1-Cyclopentanediacetic Anhydride is used to prepare betulin carboxyalkanoate derivatives as anti-HIV agents.