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2',5'-Dichloracetophenon
1-(2,5-Dichlorophenyl)ethan-1-one · 2,5-DICHLOROACETOPHENONE · 1-(2,5-DICHLOROPHENYL)ETHANONE · Ketoconazole Impurity 34 · 2',5'-Dichloracetophenon · 2',5'-Dichloroactophenone · 2',5'-Dichloroacetophenon · 2',5'-Dichloroacetophenone
Identifikatoren & physikalische Daten
| CAS No. | 2476-37-1 |
|---|---|
| Summenformel | C8H6Cl2O |
| Durchschnittliche Molmasse | 189,04 g/mol |
| Monoisotopische Masse | 187,97957017 g/mol |
| SMILES | CC(=O)c1cc(Cl)ccc1Cl |
| InChIKey | CYNFEPKQDJHIMV-UHFFFAOYSA-N |
| PubChem CID | 75587 |
| ChEMBL | CHEMBL4636915 |
| EC No. | 219-605-8 |
| DTXSID | DTXSID2062452 |
| Lokaler Name | 2',5'-Dichloracetophenon |
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 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 11-13 °C(lit.) |
| Siedepunkt | 118 °C (12 mmHg) |
| Dichte | 1.312 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5624(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| Wichte | 1.312 |
| Farbe | Clear yellow to brownish |
| BRN | 1865043 |
| InChI | InChI=1S/C8H6Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3 |
| InChIKey | CYNFEPKQDJHIMV-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC(Cl)=CC=C1Cl)C |
| CAS Datenbank | 2476-37-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2,5-Dichloroacetophenone(2476-37-1) |
| EPA chemische Informationen | Ethanone, 1-(2,5-dichlorophenyl)- (2476-37-1) |
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 6 reports by companies from 3 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 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29147000 |
| R-Sätze (R) | 36/38-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25-36-26-37-23 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2′,5′-Dichloroacetophenone was used in the synthesis of 5-chloro-2-(2-thienylthio)acetophenone.