HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzylacetylene
Prop-2-yn-1-ylbenzene · Benzylacetylene · Propargylbenzene · prop-2-ynylbenzene · 3-PHENYL-1-PROPYNE · (2-Propynyl)benzene · 3-PHENYL-1-PROPYNE 97% · 3-benzene-1-propargyne
Identifikatoren & physikalische Daten
| CAS No. | 10147-11-2 |
|---|---|
| Summenformel | C9H8 |
| Durchschnittliche Molmasse | 116,16 g/mol |
| Monoisotopische Masse | 116,06260026 g/mol |
| SMILES | C#CCc1ccccc1 |
| InChIKey | NGKSKVYWPINGLI-UHFFFAOYSA-N |
| PubChem CID | 575753 |
| EC No. | 629-124-9 |
| DTXSID | DTXSID00143941 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 109 |
| SpringerMaterials Properties | Density |
| Siedepunkt | 75 °C20 mm Hg(lit.) |
| Dichte | 0.934 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.526(lit.) |
| Flammpunkt | 126 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | Chloroform (Sparingly), DMSO (Slightly) |
| Aggregatzustand | Liquid |
| Wichte | 0.934 |
| Farbe | Clear colorless to yellow |
| Stabilität | Volatile |
| InChI | 1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6H2 |
| InChIKey | NGKSKVYWPINGLI-UHFFFAOYSA-N |
| SMILES | C#CCc1ccccc1 |
| CAS Datenbank | 10147-11-2 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (91.3%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (91.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3295 3/PG 3 |
| Zollcode | 29029090 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39-37/39 |
| Gefahrenklasse | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Phenyl-1-propyne is used as a starting material in the synthesis of 4-phenyl-2-butyn-1-ol. It is also used in the preparation of beta-hydroxytriazoles and indoles.