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1-(p-Chlorphenyl)aceton
1-(4-CHLOROPHENYL)PROPAN-2-ONE · 1-(4-Chlorophenyl)-2-propanone · 4-Chlorphenylaceton · 4-chorophenylacetone · 4-CHLOROPHENYLACETONE · 4'-CHLOROPHENYLACETONE · (P-CHLOROPHENYL)ACETONE · 1-(4-CHLOROPHENYL)ACETONE
Identifikatoren & physikalische Daten
| CAS No. | 5586-88-9 |
|---|---|
| Summenformel | C9H9ClO |
| Durchschnittliche Molmasse | 168,62 g/mol |
| Monoisotopische Masse | 168,03419259 g/mol |
| SMILES | CC(=O)Cc1ccc(Cl)cc1 |
| InChIKey | WEJRYKSUUFKMBC-UHFFFAOYSA-N |
| PubChem CID | 79699 |
| EC No. | 226-986-4 |
| DTXSID | DTXSID90204459 |
| Lokaler Name | 1-(p-Chlorphenyl)aceton |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 136 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 6-8 °C |
| Siedepunkt | 132 °C |
| Dichte | 1.151 |
| Brechungsindex | 1.5325-1.5345 |
| Flammpunkt | >110℃ |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear light yellow |
| InChI | 1S/C9H9ClO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3 |
| InChIKey | WEJRYKSUUFKMBC-UHFFFAOYSA-N |
| SMILES | CC(=O)Cc1ccc(Cl)cc1 |
| CAS Datenbank | 5586-88-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Propanone,p-chlorophenyl-(5586-88-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (75%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29147000 |
| R-Sätze (R) | 22-52 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 3 |
Anwendungen & Verwendung
Verwenden
4-Chlorophenylacetone is a phenylacetone derivative used in the preparation of biologically active compounds such as anorectic agents.