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1-Brom-2,4,5-trifluorbenzol
2,4,5-TRIFLUOROBROMOBENZENE · 2,4,5 bromobenzene · 1-Bromo-2,4,5-trifL · 1-Bromo-2,4,5-triflu · 2,4,5-TRIFLUOROBENZOBROMIDE · 2,4,5-Trifluorophenyl bromide · 1,2,4-Trifluoro-5-bromobenzene · 2-BROMO-1,4,5-TRIFLUOROBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 327-52-6 |
|---|---|
| Summenformel | C6H2BrF3 |
| Durchschnittliche Molmasse | 210,98 g/mol |
| Monoisotopische Masse | 209,92919682 g/mol |
| SMILES | Fc1cc(F)c(Br)cc1F |
| InChIKey | DVTULTINXNWGJY-UHFFFAOYSA-N |
| PubChem CID | 67597 |
| ChEBI | CHEBI:189196 |
| EC No. | 206-318-8 |
| DTXSID | DTXSID30186366 |
| Lokaler Name | 1-Brom-2,4,5-trifluorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 120 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | −19 °C(lit.) |
| Siedepunkt | 144 °C(lit.) |
| Dichte | 1.802 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.485(lit.) |
| Flammpunkt | 132 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | water: insoluble |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Wichte | 1.81 |
| BRN | 1636588 |
| InChI | InChI=1S/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H |
| InChIKey | DVTULTINXNWGJY-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC(F)=C(F)C=C1F |
| CAS Datenbank | 327-52-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-bromo-2,4,5-trifluoro-(327-52-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38-10 |
| Gefahrensymbole | Xi,F |
| hazard_note | Flammable |
| Sicherheitshinweise (S) | 26-36/37/39-37/39-16 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Bromo-2,4,5-trifluorobenzene is the intermediate of liquid crystals. The derivatives of this compound can be used as intermediates for the synthesis of qunolone antibacterial. It is employed in the synthesis of 3-ethenyl, 3-ethynyl, 3-aryl, and 3-cyclopropyl-2, 4, 5-trifluorobenzoic acids from 1-bromo-2, 4, 5-trifluorobenzene and 2, 4, 5-trifluoro-3-hydroxybenzoic acid.