HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Brombutan-2-on
3-bromobutan-2-one · 3-Bromobut-2-one · 3-bromo-2-butanon · 2-BROMO-3-BUTANONE · 2-Bromobutan-2-one · 3-Bromo-2-butanone · 3-Bromobutane-2-one · 2-Butanone, 3-bromo-
Identifikatoren & physikalische Daten
| CAS No. | 814-75-5 |
|---|---|
| Summenformel | C4H7BrO |
| Durchschnittliche Molmasse | 151 g/mol |
| Monoisotopische Masse | 149,96802694 g/mol |
| SMILES | CC(=O)C(C)Br |
| InChIKey | BNBOUFHCTIFWHN-UHFFFAOYSA-N |
| PubChem CID | 13142 |
| EC No. | 212-404-6 |
| DTXSID | DTXSID50883587 |
| Lokaler Name | 3-Brombutan-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 60,6 |
| Siedepunkt | 36 °C (11 mmHg) |
| Dichte | 1.416 g/mL at 25 °C |
| Brechungsindex | 1.458-1.46 |
| Flammpunkt | >100°C |
| Lagerbedingungen | Storage temp. 2-8°C |
| Löslichkeit | Miscible with dichloromethane. |
| Aggregatzustand | Liquid |
| Farbe | Clear light yellow to brown |
| BRN | 906773 |
| InChI | InChI=1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3 |
| InChIKey | BNBOUFHCTIFWHN-UHFFFAOYSA-N |
| SMILES | CC(=O)C(Br)C |
| CAS Datenbank | 814-75-5(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Butanone, 3-bromo- (814-75-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (91.1%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (91.1%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1224 |
| Zollcode | 29147000 |
| RTECS-Nr. | EL7005000 |
| R-Sätze (R) | 36/37/38-20/21/22-34-21/24-21/22 |
| Gefahrensymbole | Xn,C |
| Sicherheitshinweise (S) | 36/37/39-26-45 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Bromo-2-butanone is involved in the preparation of o-isopropyl S-3-oxobutan-2-yl dithiocarbonate by reaction with potassium o-isopropylxanthate, which on treatment with sulfuric acid gives 4,5-dimethyl-1,3-dithiol-2-one .