HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Prop-1-ynylbenzol
Prop-1-yn-1-ylbenzene · 1-Phenylpropyne · 3-Phenyl-2-propyne · Phenylmethylacetylene · 1-METHYL-2-PHENYLACETYLENE · Phenylpropyne · 1-PHENYLPROPYNE-1 · 1-Propynylbenzene
Identifikatoren & physikalische Daten
| CAS No. | 673-32-5 |
|---|---|
| Summenformel | C9H8 |
| Durchschnittliche Molmasse | 116,16 g/mol |
| Monoisotopische Masse | 116,06260026 g/mol |
| SMILES | CC#Cc1ccccc1 |
| InChIKey | GHUURDQYRGVEHX-UHFFFAOYSA-N |
| PubChem CID | 69601 |
| ChEMBL | CHEMBL105998 |
| EC No. | 211-607-7 |
| DTXSID | DTXSID10217667 |
| Lokaler Name | Prop-1-ynylbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 127 |
| Stoffklassen | Other Classes -> Aromatic Hydrocarbons |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| Siedepunkt | 185 °C (lit.) |
| Dichte | 0.928 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.564(lit.) |
| Flammpunkt | 144 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Wichte | 0.939 |
| Farbe | Clear yellow |
| Löslichkeit | Sparingly soluble in water (0.26 g/L) (25°C). |
| BRN | 1071474 |
| InChI | InChI=1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3 |
| InChIKey | GHUURDQYRGVEHX-UHFFFAOYSA-N |
| SMILES | C1(C#CC)=CC=CC=C1 |
| CAS Datenbank | 673-32-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See Phenylacetylene. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29029090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1-Phenyl-1-propyne is used as a intermediate for phrama industry and chemical research.