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2,3-Dimethoxy-1,3-butadiene
2,3-Dimethoxy-1,3-bu · 2,3-DIMETHOXY-1,3-BUTADIENE · 2,3-DIMETHOLXY-1,3-BUTADIENE · 2,3-DIMETHOXY-1,3-BUTADIENCE · 2,3-Dimethoxy-buta-1,3-Diene · Aminocaproic acid impurities3 · 1,3-Butadiene, 2,3-dimethoxy- · 2,3-Dimethoxy-1,3-butadiene 95%
Identifikatoren & physikalische Daten
| CAS No. | 3588-31-6 |
|---|---|
| Summenformel | C6H10O2 |
| Durchschnittliche Molmasse | 114,14 g/mol |
| Monoisotopische Masse | 114,06807956 g/mol |
| SMILES | C=C(OC)C(=C)OC |
| InChIKey | NHBDKDZHQKQPTF-UHFFFAOYSA-N |
| PubChem CID | 19169 |
| EC No. | 626-576-9 |
| DTXSID | DTXSID30189438 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 91,1 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 19 °C (lit.) |
| Siedepunkt | 134-136 °C/745 mmHg (lit.) |
| Dichte | 0.94 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.459(lit.) |
| Flammpunkt | 91 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| InChI | 1S/C6H10O2/c1-5(7-3)6(2)8-4/h1-2H2,3-4H3 |
| InChIKey | NHBDKDZHQKQPTF-UHFFFAOYSA-N |
| SMILES | COC(=C)C(=C)OC |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16-33 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,3-Dimethoxy-1,3-butadiene has been employed as diene to investigate the Diels-Alder chemistry of pristine and defective graphene. It was also used in the synthesis of novel benzopentathiepin varacinium trifluoroacetate.It may be used in the preparation of 3,4-dimethoxythiophene, an intermediate for the synthesis of 3,4-ethylenedioxythiophene (EDOT). It may also be used to form thio esters by reacting with mercaptans in the presence of cobalt carbonyl catalyst.