HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(Prop-2-inyloxy)benzol
(Prop-2-yn-1-yloxy)benzene · HC≡CCH2OC6H5 · prop-2-ynoxybenzene · TIMTEC-BB SBB008983 · 3-PHENOXYPROP-1-YNE · Propargyloxybenzene · Propargylphenylether · (Propargyloxy)benzene
Identifikatoren & physikalische Daten
| CAS No. | 13610-02-1 |
|---|---|
| Summenformel | C9H8O |
| Durchschnittliche Molmasse | 132,16 g/mol |
| Monoisotopische Masse | 132,05751488 g/mol |
| SMILES | C#CCOc1ccccc1 |
| InChIKey | AIQRJSXKXVZCJO-UHFFFAOYSA-N |
| PubChem CID | 83613 |
| ChEMBL | CHEMBL28385 |
| EC No. | 237-095-5 |
| DTXSID | DTXSID50159653 |
| Lokaler Name | (Prop-2-inyloxy)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 125 |
| Schmelzpunkt | 273℃ (decomposition) |
| Siedepunkt | 89-90°C 14mm |
| Dichte | 1.030 g/mL at 20 °C (lit.) |
| Brechungsindex | n20/D 1.535 |
| Flammpunkt | 89-90°C/14mm |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in chloroform.Slightly soluble in water (1.0 g/L at 25°C). |
| Aggregatzustand | Liquid |
| Wichte | 1.077 |
| Farbe | Colorless to yellow |
| BRN | 2040910 |
| InChI | 1S/C9H8O/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2 |
| InChIKey | AIQRJSXKXVZCJO-UHFFFAOYSA-N |
| SMILES | C#CCOc1ccccc1 |
| CAS Datenbank | 13610-02-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29093090 |
| R-Sätze (R) | 37/38-41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Phenyl propargyl ether is used as building block for synthesis.