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Malonyldichlorid
MALONYL DICHLORIDE · PROPANEDIOYL CHLORIDE · Propanedioyl dichloride · Malonyl dichlorid · Malonic acid dichloride · onyL · Prodipionyl · MALONYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 1663-67-8 |
|---|---|
| Summenformel | C3H2Cl2O2 |
| Durchschnittliche Molmasse | 140,95 g/mol |
| Monoisotopische Masse | 139,94318466 g/mol |
| SMILES | O=C(Cl)CC(=O)Cl |
| InChIKey | SXYFKXOFMCIXQW-UHFFFAOYSA-N |
| PubChem CID | 74269 |
| EC No. | 216-772-9 |
| DTXSID | DTXSID6061860 |
| Lokaler Name | Malonyldichlorid |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 87,1 |
| SpringerMaterials Properties | Schoenflies notation |
| Siedepunkt | 53-55 °C/19 mmHg (lit.) |
| Dichte | 1.449 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.465(lit.) |
| Flammpunkt | 117 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | sol most organic solventsdecomposes |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 6.86±0.46(Predicted) |
| Farbe | Clear yellow to orange to brown |
| BRN | 774044 |
| InChI | InChI=1S/C3H2Cl2O2/c4-2(6)1-3(5)7/h1H2 |
| InChIKey | SXYFKXOFMCIXQW-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)CC(Cl)=O |
| CAS Datenbank | 1663-67-8(CAS DataBase Reference) |
| NIST chemische Informationen | Malonyl dichloride(1663-67-8) |
| EPA chemische Informationen | Propanedioyl dichloride (1663-67-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Malonyl dichloride: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | - |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29171990 |
| R-Sätze (R) | 14-34-29-10 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-16 |
| Gefahrenklasse | 8Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Malonyl chloride can be used as a reactant for the synthesis of:Alkaloids with tetracyclic cores such as cyclopiamide A and speradine E.6-tetrathiafulvalene(TTF)-polymer by condensation polymerization with TTF-based dihydroxy monomer.N-doped TiO2 films by molecular layer deposition.Alkyne-substituted 1,3-oxazines by reaction with arylpropynamides.It can also be used as a coupling agent in the synthesis of block copolymers by anionic polymerization.