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2-Brom-1,4-difluorbenzol
2-BROMO-1,4-DIFLUOROBENZENE · NSC 10250 · 2-Bromo-1,4-difL · 1-Bromo-2,5-difluoro · 2,5-DIFLUOROBROMOBENZENE · 2-Brom-1,4-difluorbenzol · 1,4-Difluoro-2-bromobenzene · 1-BROMO-2,5-DIFLUOROBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 399-94-0 |
|---|---|
| Summenformel | C6H3BrF2 |
| Durchschnittliche Molmasse | 192,99 g/mol |
| Monoisotopische Masse | 191,93861864 g/mol |
| SMILES | Fc1ccc(F)c(Br)c1 |
| InChIKey | XCRCSPKQEDMVBO-UHFFFAOYSA-N |
| PubChem CID | 67862 |
| EC No. | 206-920-0 |
| DTXSID | DTXSID50192949 |
| Lokaler Name | 2-Brom-1,4-difluorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 97,1 |
| Schmelzpunkt | −31 °C(lit.) |
| Siedepunkt | 58-59 °C20 mm Hg(lit.) |
| Dichte | 1.708 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.508(lit.) |
| Flammpunkt | 149 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Wichte | 1.708 |
| Farbe | Colorless to Light yellow to Light orange |
| Löslichkeit | Insoluble |
| BRN | 1680893 |
| InChI | InChI=1S/C6H3BrF2/c7-5-3-4(8)1-2-6(5)9/h1-3H |
| InChIKey | XCRCSPKQEDMVBO-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=C(F)C=C1Br |
| CAS Datenbank | 399-94-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 2-bromo-1,4-difluoro-(399-94-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2922 |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,F,Xn |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 26-36/37/39-2637/39-37/39 |
| Gefahrenklasse | IRRITANT, FLAMMABLEEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Bromo-1,4-difluorobenzene has been used in the preparation of 1,4-difluoroanthraquinone, a precursor to ametantrone.