HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(2-Nitroethoxy)tetrahydropyran
LABOTEST-BB LT00233230 · 2-(2-NITROETHOXY)TETRAHYDROPYRAN · 2-(2-Nitroethoxy)tetrahydropyran>2-(2-Nitroethoxy)tetrahydro-2H-pyran · TETRAHYDRO-2-(2-NITROETHOXY)-2H-PYRAN · 2H-Pyran, tetrahydro-2-(2-nitroethoxy)- · 2-(2-NITROETHOXY)TETRAHYDROPYRAN ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 75233-61-3 |
|---|---|
| Summenformel | C7H13NO4 |
| Durchschnittliche Molmasse | 175,18 g/mol |
| Monoisotopische Masse | 175,0844579 g/mol |
| SMILES | O=[N+]([O-])CCOC1CCCCO1 |
| InChIKey | KQDXRRAVDLIMGM-UHFFFAOYSA-N |
| PubChem CID | 3748656 |
| EC No. | 623-311-9 |
| DTXSID | DTXSID40395886 |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 64,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 145 |
| Siedepunkt | 285.2±35.0 °C(Predicted) |
| Dichte | 1.143 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.459(lit.) |
| Flammpunkt | 118 °F |
| Löslichkeit | dichloromethane: soluble25mg/mL, clear, yellow to orange |
| pKa (Säurekonstante) | 8.21±0.29(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| InChI | 1S/C7H13NO4/c9-8(10)4-6-12-7-3-1-2-5-11-7/h7H,1-6H2 |
| InChIKey | KQDXRRAVDLIMGM-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)CCOC1CCCCO1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2-Nitroethyl 2-tetra-hydropyranyl ether: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 2932.99.9090 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39 |
| Gefahrenklasse | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-(2-Nitroethoxy)tetrahydropyran may be used in chemical synthesis.