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2-Bromo-5-fluoroanisole
1-Bromo-4-fluoro-2-methoxybenzene · BUTTPARK 87\07-62 · 2-BROMO-5-FLUOROANISOLE · 2-Bromo-5-fluoroanisole >2-Bromo-5-fluoroanisole98+% · 2-bromo-5-fluorobenzane ether · 2-methoxy-4-fluorobromobenzene · 2-BroMo-5-fluoroanisole, 95.0%(GC) · Benzene, 1-bromo-4-fluoro-2-methoxy-
Identifikatoren & physikalische Daten
| CAS No. | 450-88-4 |
|---|---|
| Summenformel | C7H6BrFO |
| Durchschnittliche Molmasse | 205,02 g/mol |
| Monoisotopische Masse | 203,95860513 g/mol |
| SMILES | COc1cc(F)ccc1Br |
| InChIKey | KGYXKRGMSUHYCY-UHFFFAOYSA-N |
| PubChem CID | 7018043 |
| EC No. | 626-484-9 |
| DTXSID | DTXSID00426943 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 110 |
| Siedepunkt | 143-145 °C |
| Dichte | 1.5983 |
| Brechungsindex | 1.542 |
| Flammpunkt | 90 °C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| InChIKey | KGYXKRGMSUHYCY-UHFFFAOYSA-N |
| CAS Datenbank | 450-88-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (85.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29093090 |
| R-Sätze (R) | 36/37/38-36-22 |
| Gefahrensymbole | Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
2-Bromo-5-fluoroanisole is a halogenated anisole compound, the chemical reactivity of which is mainly concentrated on the bromine atom on its benzene ring. It can be used as an organic synthesis intermediate and a synthetic raw material for drug molecules. For example, literature reports that the substance can be used for the preparation of the drug molecule anacetrapib.