HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2H-Pyran, 4-chlorotetrahydro-
4-Chlorotetrahydro-2H-pyran · 4-chlorooxane · 4-Chlorotetrapyran · 4-Chlorotetrahydropyran · 4-Chlorotetrahydropyran 96% · 2H-Pyran, 4-chlorotetrahydro- · Tetrahydro-2H-pyran-4-chloride · 4-Chlorotetrahydro-2H-pyran >4-chlorotetrahydro-2H-pran-4-one
Identifikatoren & physikalische Daten
| CAS No. | 1768-64-5 |
|---|---|
| Summenformel | C5H9ClO |
| Durchschnittliche Molmasse | 120,58 g/mol |
| Monoisotopische Masse | 120,03419259 g/mol |
| SMILES | ClC1CCOCC1 |
| InChIKey | DHRSKOBIDIDMJZ-UHFFFAOYSA-N |
| PubChem CID | 137202 |
| EC No. | 605-785-9 |
| DTXSID | DTXSID80170194 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 50 |
| Siedepunkt | 150 °C(lit.) |
| Dichte | 1.114 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.462(lit.) |
| Flammpunkt | 114 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | water: soluble(lit.) |
| Aggregatzustand | Liquid |
| Farbe | Colorless to dark yellow |
| Stabilität | Volatile |
| InChI | InChI=1S/C5H9ClO/c6-5-1-3-7-4-2-5/h5H,1-4H2 |
| InChIKey | DHRSKOBIDIDMJZ-UHFFFAOYSA-N |
| SMILES | C1OCCC(Cl)C1 |
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 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 2932990090 |
| 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
4-Chlorotetrahydropyran is a useful reagent for the synthetic preparation of coupling products via iridium photo-catalyzed cross-electrophile coupling.