HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Brom-3,3-dimethylbutan-2-on
1-BROMO-3,3-DIMETHYLBUTAN-2-ONE · Bromopinacolone · 1-BROMO-3,3-DIMETHYL-2-BUTANONE · DK817 · 1-bromone · Bromopinacolin · 1-Bromopicolone · 1-BROMOPINACOLIN
Identifikatoren & physikalische Daten
| CAS No. | 5469-26-1 |
|---|---|
| Summenformel | C6H11BrO |
| Durchschnittliche Molmasse | 179,05 g/mol |
| Monoisotopische Masse | 177,99932707 g/mol |
| SMILES | CC(C)(C)C(=O)CBr |
| InChIKey | SAIRZMWXVJEBMO-UHFFFAOYSA-N |
| PubChem CID | 21642 |
| EC No. | 226-794-0 |
| DTXSID | DTXSID50203145 |
| Lokaler Name | 1-Brom-3,3-dimethylbutan-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 91,2 |
| Schmelzpunkt | -10 °C (lit.) |
| Siedepunkt | 188-194 °C (lit.) |
| Dichte | 1.331 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.466(lit.) |
| Flammpunkt | 195 °F |
| Lagerbedingungen | -20°C |
| Löslichkeit | Chloroform, MethanolInsoluble in water. |
| Aggregatzustand | Liquid |
| Farbe | Clear pale yellow to yellow-brownish |
| BRN | 506485 |
| InChI | InChI=1S/C6H11BrO/c1-6(2,3)5(8)4-7/h4H2,1-3H3 |
| InChIKey | SAIRZMWXVJEBMO-UHFFFAOYSA-N |
| SMILES | C(Br)C(=O)C(C)(C)C |
| CAS Datenbank | 5469-26-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Butanone, 1-bromo-3,3-dimethyl-(5469-26-1) |
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1-Bromo-3,3-dimethylbutan-2-butanone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8-10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1224 |
| Zollcode | 29147000 |
| RTECS-Nr. | EL7010000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,F |
| hazard_note | Irritant/Flammable |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 3.2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Bromopinacolone is used as an iIntermediate for triazole compounds ( a five-membered ring structure compound contains three nitrogens and two carbons in the ring) which have biological activities such as antiviral, antibacterial, antifungal and antituberculous.