HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4'-Brombutyrophenon
NSC76558 · NSC 76558 · ST5207857 · AURORA 22533 · ZINC00065218 · EINECS 225-632-6 · 4-BROMOBUTYROPHENONE · p-Bromobutyrophenone
Identifikatoren & physikalische Daten
| CAS No. | 4981-64-0 |
|---|---|
| Summenformel | C10H11BrO |
| Durchschnittliche Molmasse | 227,1 g/mol |
| Monoisotopische Masse | 225,99932707 g/mol |
| SMILES | CCCC(=O)c1ccc(Br)cc1 |
| InChIKey | HOIDKJFWEVIJAT-UHFFFAOYSA-N |
| PubChem CID | 78680 |
| EC No. | 225-632-6 |
| DTXSID | DTXSID9063663 |
| Lokaler Name | 4'-Brombutyrophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 148 |
| Schmelzpunkt | 38-39 °C(Solv: ligroine (8032-32-4)) |
| Siedepunkt | 149-151 °C(Press: 13 Torr) |
| Dichte | 1.334±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| InChI | InChI=1S/C10H11BrO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3 |
| InChIKey | HOIDKJFWEVIJAT-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(Br)C=C1)(=O)CCC |
| CAS Datenbank | 4981-64-0(CAS DataBase Reference) |
| NIST chemische Informationen | 1-(4-Bromophenyl)-1-butanone(4981-64-0) |
| EPA chemische Informationen | 1-Butanone, 1-(4-bromophenyl)- (4981-64-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
4'-Bromobutyrophenone is used in organic synthesis. It reacts with triphenylphosphine to form tetraphenylphosphonium bromide.