HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Diethylmalonyl dichloride
DIETHYLMALONYL DICHLORIDE · Diethylmalonyl dichloride 98% · 2,2-diethylMalonyl dichloride · Diethylmalonic acid dichloride · 2,2-Diethylpropanedioyl Dichloride · Propanedioyl dichloride, 2,2-diethyl-
Identifikatoren & physikalische Daten
| CAS No. | 54505-72-5 |
|---|---|
| Summenformel | C7H10Cl2O2 |
| Durchschnittliche Molmasse | 197,06 g/mol |
| Monoisotopische Masse | 196,00578492 g/mol |
| SMILES | CCC(CC)(C(=O)Cl)C(=O)Cl |
| InChIKey | FWKCXFPQSXNCBW-UHFFFAOYSA-N |
| PubChem CID | 4149059 |
| EC No. | 628-346-3 |
| DTXSID | DTXSID40399920 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 157 |
| Siedepunkt | 197-199 °C (lit.) |
| Dichte | 1.145 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.459(lit.) |
| Flammpunkt | 165 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| InChI | 1S/C7H10Cl2O2/c1-3-7(4-2,5(8)10)6(9)11/h3-4H2,1-2H3 |
| InChIKey | FWKCXFPQSXNCBW-UHFFFAOYSA-N |
| SMILES | CCC(CC)(C(Cl)=O)C(Cl)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 23-26-27-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Diethylmalonyl dichloride has been used in the preparation of:5,5-diethyl-1,3-dihydroxybarbituric acid (N,N′-dihydroxyveronal) via condensation with 1,3-dibenzyloxyurea1,11-dibronzo-4,8-diaza-6,6-diethyl-5,7-dioxoundecaneamide containing crowned derivatives of dithiomaleonitrile