HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 75740Erstellt: 26. Oktober 2026
Phenylpropiolaldehyd
3-Phenylpropiolaldehyde · Phenylpropynal · 3-Phenylpropynal · 3-PHENYL-2-PROPYNAL · PHENYLPROPARGYL ALDEHYDE · Benzenepropynal · 3-phenylprop-2-ynal · Formylphenylacetylene
https://huagongshe.com/de/chemical/75740
Identifikatoren & physikalische Daten
| CAS No. | 2579-22-8 |
|---|
| Summenformel | C9H6O |
|---|
| Durchschnittliche Molmasse | 130,14 g/mol |
|---|
| Monoisotopische Masse | 130,04186481 g/mol |
|---|
| SMILES | O=CC#Cc1ccccc1 |
|---|
| InChIKey | IDASOVSVRKONFS-UHFFFAOYSA-N |
|---|
| PubChem CID | 75740 |
|---|
| EC No. | 219-942-0 |
|---|
| DTXSID | DTXSID80180455 |
|---|
| Lokaler Name | Phenylpropiolaldehyd |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|
| Polarare Oberfläche (TPSA) | 17,1 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 10 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 164 |
|---|
| SpringerMaterials Properties | Boiling point |
|---|
| Schmelzpunkt | 139-140 °C (decomp) |
|---|
| Siedepunkt | 118 °C13 mm Hg(lit.) |
|---|
| Dichte | 1.064 g/mL at 25 °C(lit.) |
|---|
| Brechungsindex | n20/D 1.604(lit.) |
|---|
| Flammpunkt | 202 °F |
|---|
| Lagerbedingungen | 2-8°C |
|---|
| Aggregatzustand | liquid |
|---|
| Farbe | Clear, dark red/orange |
|---|
| BRN | 1099281 |
|---|
| InChI | InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H |
|---|
| InChIKey | IDASOVSVRKONFS-UHFFFAOYSA-N |
|---|
| SMILES | C(=O)C#CC1=CC=CC=C1 |
|---|
| CAS Datenbank | 2579-22-8(CAS DataBase Reference) |
|---|
| NIST chemische Informationen | Phenylpropargyl aldehyde(2579-22-8) |
|---|
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 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 | 9-19 |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| UN-Transportnummer | UN 2810 6.1/PG 3 |
|---|
| Zollcode | 29122990 |
|---|
| R-Sätze (R) | 36/37/38-36-22 |
|---|
| Gefahrensymbole | Xi,Xn |
|---|
| Sicherheitshinweise (S) | 26-36 |
|---|
