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(~13~C_4_)-1,4-Dioxane
1,4-Dioxane-13C4 · [13C4]-1,4-Dioxane
Identifikatoren & physikalische Daten
| CAS No. | 1228182-37-3 |
|---|---|
| Summenformel | C4H8O2 |
| Durchschnittliche Molmasse | 92,076 g/mol |
| Monoisotopische Masse | 92,06584884 g/mol |
| SMILES | [13CH2]1[13CH2]O[13CH2][13CH2]O1 |
| InChIKey | RYHBNJHYFVUHQT-JCDJMFQYSA-N |
| PubChem CID | 71309681 |
| EC No. | 693-934-9 |
| DTXSID | DTXSID40745963 |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 26,5 |
| Schmelzpunkt | 10-12°C (lit.) |
| Siedepunkt | 100-102°C (lit.) |
| Dichte | 1.08 g/mL at 25 °C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Stabilität | Volatile |
| InChI | 1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1+1,2+1,3+1,4+1 |
| InChIKey | RYHBNJHYFVUHQT-JCDJMFQYSA-N |
| SMILES | [13CH2]1[13CH2]O[13CH2][13CH2]O1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P337+P317, P370+P378, P403+P233, P403+P235, 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 | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| R-Sätze (R) | 11-19-36/37-40-66 |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) | 9-16-36/37-46 |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrenklasse | Carc. 1BEye Irrit. 2Flam. Liq. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,4-Dioxane-13C4 is a heterocyclic organic compound that is used for a variety of practical applications as well as in the laboratory.