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5-Bromo-2-fluoro-1,3-dimethylbenzene
5-Bromo-2-fluoro-1,3-dimethylbenzene · 4-BROMO-2,6-DIMETHYLFLUOROBENZENE · 1-Bromo-4-fluoro-3,5-dimethylbenzene · 4-Bromo-2,6-dimethylfluorobenzene 99% · 5-Bromo-2-fluoro-m-xyene · 5-BROMO-2-FLUORO-3-XYLENE · 5-BROMO-2-FLUORO-M-XYLENE · 5-Bromo-2-fluoro-1,3-xylene
Identifikatoren & physikalische Daten
| CAS No. | 99725-44-7 |
|---|---|
| Summenformel | C8H8BrF |
| Durchschnittliche Molmasse | 203,05 g/mol |
| Monoisotopische Masse | 201,97934058 g/mol |
| SMILES | Cc1cc(Br)cc(C)c1F |
| InChIKey | ZXPHUVHMBKRRJF-UHFFFAOYSA-N |
| PubChem CID | 2736298 |
| EC No. | 671-133-5 |
| DTXSID | DTXSID90371256 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 104 |
| Siedepunkt | 95 °C |
| Dichte | 1,45 g/cm3 |
| Brechungsindex | 1.5270 to 1.5320 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| InChI | InChI=1S/C8H8BrF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3 |
| InChIKey | ZXPHUVHMBKRRJF-UHFFFAOYSA-N |
| SMILES | C1(C)=CC(Br)=CC(C)=C1F |
| CAS Datenbank | 99725-44-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (12.5%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (12.5%) |
| Zollcode | 2903998090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
5-Bromo-2-fluoro-m-xylene is an aromatic halide compound. Its chemical properties are mainly concentrated on the bromine atom on its benzene ring. It can be used to prepare Grignard reagents and aromatic boron compounds. In addition, this substance can undergo cross-coupling reactions with metal-organic reagents under the catalysis of transition metals and can be used to prepare polysubstituted fluorobenzene organic molecules.