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1-(3,4-Dichlorphenyl)ethan-1-on
3,4-DICHLOROACETOPHENONE · 1-(3,4-DICHLOROPHENYL)ETHAN-1-ONE · NSC 403673 · AKOS BBS-00003230 · 3',4'-Dichlorohypnone · 3,4-Dicloroacetophenone · 3',4'-Dichloroacetophenone · 1-Acetyl-3,4-dichlorobenzene
Identifikatoren & physikalische Daten
| CAS No. | 2642-63-9 |
|---|---|
| Summenformel | C8H6Cl2O |
| Durchschnittliche Molmasse | 189,04 g/mol |
| Monoisotopische Masse | 187,97957017 g/mol |
| SMILES | CC(=O)c1ccc(Cl)c(Cl)c1 |
| InChIKey | WBPAOUHWPONFEQ-UHFFFAOYSA-N |
| PubChem CID | 75841 |
| ChEMBL | CHEMBL4640796 |
| EC No. | 220-146-0 |
| DTXSID | DTXSID8062571 |
| Lokaler Name | 1-(3,4-Dichlorphenyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| 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 | 72-74 °C(lit.) |
| Siedepunkt | 135 °C12 mm Hg(lit.) |
| Dichte | 1.2979 (rough estimate) |
| Brechungsindex | 1.5595 (estimate) |
| Flammpunkt | 134-135mm°C/12mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| BRN | 742534 |
| InChI | 1S/C8H6Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3 |
| InChIKey | WBPAOUHWPONFEQ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(Cl)c(Cl)c1 |
| CAS Datenbank | 2642-63-9(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanone, 1-(3,4-dichlorophenyl)- (2642-63-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 36 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (94.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29147000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-36-36/37 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3'',4''-Dichloroacetophenone (cas# 2642-63-9) is a compound useful in organic synthesis.