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1,4-Dichlorobutan-2-one
Einecs 240-768-6 · 1,4-dichlorobutan-2-one · 2-Butanone,1,4-dichloro · 1,4-Dichloro-2-butanone · (2-Chloroethyl)(chloromethyl) ketone
Identifikatoren & physikalische Daten
| CAS No. | 16714-78-6 |
|---|---|
| Summenformel | C4H6Cl2O |
| Durchschnittliche Molmasse | 140,99 g/mol |
| Monoisotopische Masse | 139,9795702 g/mol |
| SMILES | O=C(CCl)CCCl |
| InChIKey | UDNZDMGFDFBONM-UHFFFAOYSA-N |
| PubChem CID | 85563 |
| EC No. | 240-768-6 |
| DTXSID | DTXSID40168234 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 62,7 |
| Siedepunkt | 65 °C(Press: 3 Torr) |
| Dichte | 1.3295 g/cm3 |
| Löslichkeit | freely sol organicsmay react with amides, amines, alcohols, sulfoxides, water |
| Aggregatzustand | neat liquid |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Alarmwort | Achtung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
Anwendungen & Verwendung
Verwenden
1,4-dichloro-Butanone is a reagent used as a reactive electrophile precursor for 1,4-disubstituted 2-butanones and 2-butenones.
Herstellung & Synthese
synthetische
1,4-Dichloro-2-butanone can be prepared by the Friedel-Crafts acylation of ethylene with Chloroacetyl Chloride catalyzed by Aluminum Chloride or the treatment of 2-chloropropionyl chloride with Diazomethane followed by concentrated HCl. The Friedel-Crafts process can be used with other alkenes and acid chlorides to yield α,β′-dichloroalkyl ketones.