HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pent-4-inylbenzol
4-Pentynylbenzene · 5-Phenypent-1-yne · 5-Phenylpent-1-yne · 5-PHENYL-1-PENTYNE · pent-4-ynylbenzene · 5-Phenyl-1-pentyne 98+% · (Pent-4-yn-1-yl)benzene · Benzene, 4-pentyn-1-yl-
Identifikatoren & physikalische Daten
| CAS No. | 1823-14-9 |
|---|---|
| Summenformel | C11H12 |
| Durchschnittliche Molmasse | 144,21 g/mol |
| Monoisotopische Masse | 144,09390038 g/mol |
| SMILES | C#CCCCc1ccccc1 |
| InChIKey | KOSORCNALVBYBP-UHFFFAOYSA-N |
| PubChem CID | 74573 |
| ChEMBL | CHEMBL1743362 |
| EC No. | 217-352-8 |
| DTXSID | DTXSID50171279 |
| Lokaler Name | Pent-4-inylbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 131 |
| Schmelzpunkt | 103-106 °C(Solv: chloroform (67-66-3)hexane (110-54-3)) |
| Siedepunkt | 94°C 50mm |
| Dichte | 0,95 g/cm3 |
| Brechungsindex | 1.5165 |
| Flammpunkt | 85°C |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Aggregatzustand | liquid |
| Farbe | Colourless |
| BRN | 2074729 |
| InChI | 1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,3,5,8H2 |
| InChIKey | KOSORCNALVBYBP-UHFFFAOYSA-N |
| SMILES | C#CCCCc1ccccc1 |
| CAS Datenbank | 1823-14-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (90.9%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2902900000 |
| R-Sätze (R) | 36/37/38-50/53-36 |
| Gefahrensymbole | Xi,N |
| Sicherheitshinweise (S) | 26-36/37/39-61-60 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
5-Phenyl-1-pentyne is also used as an intermediate in organic synthesis and pharmaceuticals. It is also used to make other chemicals.