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1-(2,4-Dichlorphenyl)ethan-1-on
1-(2,4-dichlorophenyl)ethan-1-one · 1-(2,4-DICHLOROPHENYL)ETHANONE · AKOS BBS-00003238 · 2',4'-Dichloroacetop · 2, 4-dichlorophenone · 2,4-Dichloracetophenone · Ketoconazole Impurity 5 · 2,4-Dicloro actophenone
Identifikatoren & physikalische Daten
| CAS No. | 2234-16-4 |
|---|---|
| Summenformel | C8H6Cl2O |
| Durchschnittliche Molmasse | 189,04 g/mol |
| Monoisotopische Masse | 187,97957017 g/mol |
| SMILES | CC(=O)c1ccc(Cl)cc1Cl |
| InChIKey | XMCRWEBERCXJCH-UHFFFAOYSA-N |
| PubChem CID | 16693 |
| EC No. | 218-780-8 |
| DTXSID | DTXSID1022182 |
| Lokaler Name | 1-(2,4-Dichlorphenyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 158 |
| Schmelzpunkt | 33-34 °C(lit.) |
| Siedepunkt | 140-150 °C15 mm Hg(lit.) |
| Dichte | 1.32 |
| Dampfdruck | 3.2Pa at 25℃ |
| Brechungsindex | n20/D 1.5635(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Methanol (Slightly)ca. 200 mg/L |
| Aggregatzustand | Solid |
| Farbe | Colorless to yellow-brown |
| BRN | 637819 |
| InChI | 1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3 |
| InChIKey | XMCRWEBERCXJCH-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(Cl)cc1Cl |
| LogP (Verteilungskoeffizient) | 2.62 at 20℃ |
| CAS Datenbank | 2234-16-4(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanone, 1-(2,4-dichlorophenyl)-(2234-16-4) |
| EPA chemische Informationen | 2',4'-Dichloroacetophenone (2234-16-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 31.9% (37 of 116) of reports.DangerH302 (66.4%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 116 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 19-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5283Ethanone, 1-(2,4-dichlorophenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (66.4%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29143990 |
| R-Sätze (R) | 22-41-52/53-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-39-61-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1 |
Anwendungen & Verwendung
Verwenden
2′,4′-Dichloroacetophenone was used in the synthesis of the Schiff base derivatives.