HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(4-Iodphenyl)ethan-1-on
4-IODOACETOPHENONE · 1-(4-IODOPHENYL)ETHANONE · 4'-IODOACETOPHE · p-Iodoacetophenone · 4'-iodoaetophenone · 4'-Iodoacetophenone · 4-Acetylphenyl iodide · Of iodine acetophenone
Identifikatoren & physikalische Daten
| CAS No. | 13329-40-3 |
|---|---|
| Summenformel | C8H7IO |
| Durchschnittliche Molmasse | 246,04 g/mol |
| Monoisotopische Masse | 245,95416284 g/mol |
| SMILES | CC(=O)c1ccc(I)cc1 |
| InChIKey | JZJWCDQGIPQBAO-UHFFFAOYSA-N |
| PubChem CID | 72869 |
| ChEMBL | CHEMBL5276634 |
| EC No. | 236-372-8 |
| DTXSID | DTXSID70158047 |
| Lokaler Name | 1-(4-Iodphenyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 125 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 82-84 °C(lit.) |
| Siedepunkt | 142-144 °C(Press: 12 Torr) |
| Dichte | 1.7411 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| Farbe | Pale brown to brown |
| Löslichkeit | Easily soluble in water. |
| BRN | 1857412 |
| InChI | InChI=1S/C8H7IO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3 |
| InChIKey | JZJWCDQGIPQBAO-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC=C(I)C=C1)C |
| CAS Datenbank | 13329-40-3(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Iodoacetophenone(13329-40-3) |
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 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 | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29147090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Synthesis of quinoline-based potential anticancer agents. Substrate for palladium-catalyzed coupling reactions