HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Bromo-2-fluorobenzaldehyde
3-BroMo-6-fluorobenzaldehyde · 2-FLUORO-5-BROMOBENZALDEHYDE · AKOS BBS-00003261 · LABOTEST-BB LT01143303 · 5-Bromo-2-fluorobenzaldehyd · 5-BROMO-2-FLUOROBENZALDEHYDE · Benzaldehyde, 5-bromo-2-fluoro- · 5-Bromo-2-fluorobenzaldehyde98%
Identifikatoren & physikalische Daten
| CAS No. | 93777-26-5 |
|---|---|
| Summenformel | C7H4BrFO |
| Durchschnittliche Molmasse | 203,01 g/mol |
| Monoisotopische Masse | 201,94295507 g/mol |
| SMILES | O=Cc1cc(Br)ccc1F |
| InChIKey | MMFGGDVQLQQQRX-UHFFFAOYSA-N |
| PubChem CID | 736327 |
| EC No. | 298-056-6 |
| DTXSID | DTXSID40918074 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 129 |
| Schmelzpunkt | 58-62°C |
| Siedepunkt | 230 °C (lit.) |
| Dichte | 1.71 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.57(lit.) |
| Flammpunkt | 229 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder to lump to clear liquid |
| Wichte | 1.710 |
| Farbe | White or Colorless to Light yellow |
| Löslichkeit | INSOLUBLE |
| BRN | 7632798 |
| InChI | InChI=1S/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H |
| InChIKey | MMFGGDVQLQQQRX-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC(Br)=CC=C1F |
| CAS Datenbank | 93777-26-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 51 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 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
5-Bromo-2-fluorobenzaldehyde is used for the preparation of benzimidazole derivatives as inhibitors of leukotriene production.