4'-Bromacetophenon
2-BROMO-1-(4-BROMOPHENYL)ETHAN-1-ONE · PBPB · P-BROMOPHENACYL BROMIDE · p-Bromoacetophenone · 1-Acetyl-4-bromobenzene · 1-(4-Bromophenyl)ethanone · para-BROMOACETOPHENONE · p-BROMOACETOPHENONE pure
Identifikatoren & physikalische Daten
| CAS No. | 99-90-1 |
|---|---|
| Summenformel | C8H7BrO |
| Durchschnittliche Molmasse | 199,04 g/mol |
| Monoisotopische Masse | 197,96802694 g/mol |
| SMILES | CC(=O)c1ccc(Br)cc1 |
| InChIKey | WYECURVXVYPVAT-UHFFFAOYSA-N |
| PubChem CID | 7466 |
| ChEMBL | CHEMBL401928 |
| EC No. | 202-799-3 |
| DTXSID | DTXSID4059203 |
| Lokaler Name | 4'-Bromacetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 125 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 108-110 °C(lit.) |
| Siedepunkt | 255 °C(lit.) |
| Dichte | 1.64 |
| Brechungsindex | 1.5540 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | methanol: 0.1 g/mL, clearSoluble in Chloroform. Insoluble in water. |
| Aggregatzustand | Crystals or Crystalline Flakes |
| Farbe | White to light yellow |
| Merck | 14,1403 |
| BRN | 386015 |
| InChI | 1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3 |
| InChIKey | WYECURVXVYPVAT-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(Br)cc1 |
| CAS Datenbank | 99-90-1(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanone, 1-(4-bromophenyl)-(99-90-1) |
| EPA chemische Informationen | Ethanone, 1-(4-bromophenyl)- (99-90-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (82.4%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanone, 1-(4-bromophenyl)-4'-Bromoacetophenone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (82.4%) |
| F | 19-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29147090 |
| RTECS-Nr. | AM6950000 |
| R-Sätze (R) | 34-36/38-42/43-36/37/38-22 |
| Gefahrensymbole | C,Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-22-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
4´-Bromacetophenon bildet farblose bis schwach gelbe, wasserunlösliche Kristalle. Die Verbindung besitzt nur wissenschaftliches Interesse.
Verwenden
4'-Bromoacetophenone is an important organic synthesis intermediate, widely used in synthetic medicine, pesticides, dyes, flavors and fragrances, perfumes, Intermediates of Liquid Crystals etc.
Herstellung & Synthese
synthetische
4'-Bromoacetophenone is synthesized by the reaction of bromobenzene and acetic anhydride in the presence of aluminum trichloride. Add bromobenzene and dry carbon disulfide into the reactor, put in powdered anhydrous aluminum trichloride, heat until it starts to reflux, stop heating, add acetic anhydride dropwise, and then reflux for 1 hour after adding, steam out carbon disulfide, and put it while it is still hot. The reactant was poured into the hydrochloric acid ice-water mixture, filtered to dryness, and distilled under reduced pressure to obtain p-bromoacetophenone.