HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 136908Erstellt: 27. Oktober 2026
1-Phenyl-1-hexyne
hex-1-yn-1-ylbenzene · 1-HEXYNYLBENZENE · hex-1-ynylbenzene · 1-Phenyl-1-hexyne · benzene,1-hexynyl- · 1-hexyne,1-phenyl- · 1-Hexyne, 1-phenyl- · TIMTEC-BB SBB008962
https://huagongshe.com/de/chemical/136908
Identifikatoren & physikalische Daten
| CAS No. | 1129-65-3 |
|---|
| Summenformel | C12H14 |
|---|
| Durchschnittliche Molmasse | 158,24 g/mol |
|---|
| Monoisotopische Masse | 158,10955045 g/mol |
|---|
| SMILES | CCCCC#Cc1ccccc1 |
|---|
| InChIKey | VBRLZTLFLNZEPZ-UHFFFAOYSA-N |
|---|
| PubChem CID | 136908 |
|---|
| EC No. | 627-845-3 |
|---|
| DTXSID | DTXSID50150206 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|
| Polarare Oberfläche (TPSA) | 0 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 0 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 161 |
|---|
| Stoffklassen | Other Classes -> Aromatic Hydrocarbons |
|---|
| SpringerMaterials Properties | Chemical shift |
|---|
| Physical Description | Solid[Sigma-Aldrich MSDS] Colorless to yellow liquid[Alfa Aesar MSDS] |
|---|
| Siedepunkt | 229-232 °C(lit.) |
|---|
| Dichte | 0.9 g/mL at 25 °C(lit.) |
|---|
| Brechungsindex | n20/D 1.5349(lit.) |
|---|
| Flammpunkt | 208 °F |
|---|
| Lagerbedingungen | Sealed in dry,Room Temperature |
|---|
| Aggregatzustand | clear liquid |
|---|
| Farbe | Colorless to Light yellow to Light orange |
|---|
| InChI | 1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4H2,1H3 |
|---|
| InChIKey | VBRLZTLFLNZEPZ-UHFFFAOYSA-N |
|---|
| SMILES | CCCCC#Cc1ccccc1 |
|---|
| CAS Datenbank | 1129-65-3(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 40 reports by companies from 3 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 |
|---|
| Zollcode | 2905.19.9090 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-27-36/37/39 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
|---|
