HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Ethynyl-4-phenoxybenzene
-4-phenoxybenzene · (4-Phenyloxyphenyl)ethyne · 1-Ehynyl-4-phenoxybenzene · 1-Ethynyl-4-phenoxybenzene · 4'-PHENOXYPHENYL ACETYLENE · 1-(4-ethynylphenoxy)benzene · Benzene, 1-ethynyl-4-phenoxy- · 1-Ethynyl-4-phenoxybenzene 97%
Identifikatoren & physikalische Daten
| CAS No. | 4200-06-0 |
|---|---|
| Summenformel | C14H10O |
| Durchschnittliche Molmasse | 194,23 g/mol |
| Monoisotopische Masse | 194,07316494 g/mol |
| SMILES | C#Cc1ccc(Oc2ccccc2)cc1 |
| InChIKey | LKMNQDOAPYPSNH-UHFFFAOYSA-N |
| PubChem CID | 12788024 |
| EC No. | 626-025-2 |
| DTXSID | DTXSID40509865 |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 223 |
| Schmelzpunkt | 284℃ (decomposition) |
| Siedepunkt | 90-95 °C0.4 mm Hg(lit.) |
| Dichte | 1.074 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.6060(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store at room temperature |
| InChI | 1S/C14H10O/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h1,3-11H |
| InChIKey | LKMNQDOAPYPSNH-UHFFFAOYSA-N |
| SMILES | C#Cc1ccc(Oc2ccccc2)cc1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Sens. 1 (97.6%)Eye Dam. 1 (97.6%)Aquatic Chronic 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 41-43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Aquatic Chronic 4Eye Dam. 1Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
1-Ethynyl-4-phenoxybenzene can be used for Sonogashira coupling reactions.