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Diethylcyclopropan-1,1-dicarboxylat
DIETHYL CYCLOPROPANE-1,1-DICARBOXYLATE · 1,1-CYCLOPROPANEDICARBOXYLIC ACID DIETHYL ESTER · Diethyl 1 · NSC 21376 · RARECHEM AL BO 0836 · opropane-1,1-dicarboxyL · DiethyldifluoroMalonate96% · 1-Cyclopropanedicarboxylate
Identifikatoren & physikalische Daten
| CAS No. | 1559-02-0 |
|---|---|
| Summenformel | C9H14O4 |
| Durchschnittliche Molmasse | 186,2 g/mol |
| Monoisotopische Masse | 186,08920893 g/mol |
| SMILES | CCOC(=O)C1(C(=O)OCC)CC1 |
| InChIKey | KYYUCZOHNYSLFV-UHFFFAOYSA-N |
| PubChem CID | 73790 |
| EC No. | 216-321-6 |
| DTXSID | DTXSID80165984 |
| Lokaler Name | Diethylcyclopropan-1,1-dicarboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 198 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Schmelzpunkt | 134-136 °C(lit.) |
| Siedepunkt | 94-96 °C/10 mmHg (lit.) |
| Dichte | 1.055 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.433(lit.) |
| Flammpunkt | 188 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Acetone (Slightly), Chlorform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| BRN | 2049509 |
| InChI | 1S/C9H14O4/c1-3-12-7(10)9(5-6-9)8(11)13-4-2/h3-6H2,1-2H3 |
| InChIKey | KYYUCZOHNYSLFV-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1(CC1)C(=O)OCC |
| CAS Datenbank | 1559-02-0(CAS DataBase Reference) |
| NIST chemische Informationen | Diethyl 1,1-cyclopropanedicarboxylate(1559-02-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.DangerH228 (25%): Flammable solid [Danger Flammable solids]P210, P240, P241, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 31-08-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17845 |
| Hazard Classes and Categories | Flam. Sol. 2 (25%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29172090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-24/25-23 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Diethyl 1,1-Cyclopropanedicarboxylate (cas# 1559-02-0) is a compound useful in organic synthesis.