HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromo-2-fluorophenol
4-Bromo-2-fluorophen · 4-Brom-2-Fluorphenol · 2-Fluor-4 bromophenol · 2-Fluoro-4-BroMophonel · 2-Fluoro-4-Bromophenol · 4-BROMO-2-FLUOROPHENOL · 2-Bromo-2-fluorophenol · 4-Bromo-2-fluorophenol98%
Identifikatoren & physikalische Daten
| CAS No. | 2105-94-4 |
|---|---|
| Summenformel | C6H4BrFO |
| Durchschnittliche Molmasse | 191 g/mol |
| Monoisotopische Masse | 189,94295507 g/mol |
| SMILES | Oc1ccc(Br)cc1F |
| InChIKey | RYVOZMPTISNBDB-UHFFFAOYSA-N |
| PubChem CID | 2724981 |
| EC No. | 606-697-3 |
| DTXSID | DTXSID90175271 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 99,1 |
| Siedepunkt | 79 °C/7 mmHg (lit.) |
| Dichte | 1.744 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.566(lit.) |
| Flammpunkt | 210 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.14±0.18(Predicted) |
| Wichte | 1.744 |
| Farbe | Clear colorless to brown |
| BRN | 1861281 |
| InChI | InChI=1S/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H |
| InChIKey | RYVOZMPTISNBDB-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(Br)C=C1F |
| CAS Datenbank | 2105-94-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4% (2 of 50) of reports.WarningH302 (16%): 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 19-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22431 |
| Hazard Classes and Categories | Acute Tox. 4 (16%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29071990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39-36/37/39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Bromo-2-fluorophenol can be used as a starting material for the synthesis of:4-Bromo-2-fluoro-6-iodoanisole via iodination and methylation.2-Phenylpyran-4-ones for active cyclooxygenase-2 inhibitor evaluation.1,4-Disubstituted 3-cyano-2-pyridones.Dicationic imidazolium-based compounds.