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2-Brom-1-(4-fluorphenyl)ethan-1-on
2-bromo-1-(4-fluorophenyl)ethan-1-one · 2-BROMO-1-(4-FLUOROPHENYL)ETHANONE · 4-FLUOROPHENACYL BROMIDE · 2-Bromo-4'-fL · Vonoprazan-032 · AKOS BBS-00003857 · BUTTPARK 41\03-58 · TIMTEC-BB SBB006561
Identifikatoren & physikalische Daten
| CAS No. | 403-29-2 |
|---|---|
| Summenformel | C8H6BrFO |
| Durchschnittliche Molmasse | 217,03 g/mol |
| Monoisotopische Masse | 215,95860513 g/mol |
| SMILES | O=C(CBr)c1ccc(F)cc1 |
| InChIKey | ZJFWCELATJMDNO-UHFFFAOYSA-N |
| PubChem CID | 96749 |
| ChEMBL | CHEMBL317046 |
| EC No. | 206-955-1 |
| DTXSID | DTXSID20193307 |
| Lokaler Name | 2-Brom-1-(4-fluorphenyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 141 |
| Schmelzpunkt | 47-49 °C(lit.) |
| Siedepunkt | 150 °C12 mm Hg(lit.) |
| Dichte | 1.5728 (rough estimate) |
| Brechungsindex | 1.5450 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Soluble in methanol. |
| Aggregatzustand | Powder |
| Farbe | White to brownish-yellow to light grey |
| BRN | 637863 |
| InChI | 1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2 |
| InChIKey | ZJFWCELATJMDNO-UHFFFAOYSA-N |
| SMILES | Fc1ccc(cc1)C(=O)CBr |
| CAS Datenbank | 403-29-2(CAS DataBase Reference) |
| NIST chemische Informationen | Acetophenone, 2-bromo-4'-fluoro-(403-29-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (91.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (91.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29147000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,Xi |
| hazard_note | Corrosive/Lachrymatory/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39-45-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Bromo-4'-fluoroacetophenone is used as an organic chemical synthesis intermediate.