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1-Brom-2,4-difluorbenzol
2,4-DIFLUOROBROMOBENZENE · Bromo-2,4-difluorobenzene · CL197 · 2,4-Difluoro · 1-Bromo-2,4-difL · 1-Bromo-2,4-difluoro · 2,4-difluorobromobezene · 4-(Trifluoromethylthio)
Identifikatoren & physikalische Daten
| CAS No. | 348-57-2 |
|---|---|
| Summenformel | C6H3BrF2 |
| Durchschnittliche Molmasse | 192,99 g/mol |
| Monoisotopische Masse | 191,93861864 g/mol |
| SMILES | Fc1ccc(Br)c(F)c1 |
| InChIKey | MGHBDQZXPCTTIH-UHFFFAOYSA-N |
| PubChem CID | 67674 |
| EC No. | 206-479-4 |
| DTXSID | DTXSID40188336 |
| Lokaler Name | 1-Brom-2,4-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 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -4 °C (lit.) |
| Siedepunkt | 145-146 °C (lit.) |
| Dichte | 1.708 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.505(lit.) |
| Flammpunkt | 125 °F |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to brown |
| Wichte | 1.708 |
| pH | 5.02 at 24℃ and 10g/L |
| Löslichkeit | INSOLUBLE |
| BRN | 1680892 |
| InChI | 1S/C6H3BrF2/c7-5-2-1-4(8)3-6(5)9/h1-3H |
| InChIKey | MGHBDQZXPCTTIH-UHFFFAOYSA-N |
| SMILES | Fc1ccc(Br)c(F)c1 |
| CAS Datenbank | 348-57-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-bromo-2,4-difluoro-(348-57-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.9% (1 of 113) of reports.WarningH226 (95.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 01-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/159451-Bromo-2,4-difluorobenzene: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See p-Bromofluorobenzene. |
| Hazard Classes and Categories | Flam. Liq. 3 (95.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29036990 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi,F |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 16-26-36/37/39-37/39-36 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Bromo-2,4-difluorobenzene has been used in:preparation of (2S)-1-(2,4-difluorophenyl)-2-(1,1-dimethyl-1-sila-ethoxy)-propan-1-oneenantiomeric preparation of the key intermediate of chiral azole antifungal agents by a chemoenzymatic process