HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluoro-6-(trifluoromethyl)benzaldehyde
OTF-BAD-6F · 4-Fluoro-5'-hydroxybenzopheone · 2-Fluoro-6-trifluorobenzaldehyde · α,α,α,6-Tetrafluoro-o-tolualdehyde · α,α,α,6-Tetrafluoro-2-tolualdehyde · à,à,à,6-tetrafluoro-o-tolualdehyde · 2-fluoro-6-(trifluoromethyl)benzald · 2-Fluor-6-trifluormethylbenzaldehyd
Identifikatoren & physikalische Daten
| CAS No. | 60611-24-7 |
|---|---|
| Summenformel | C8H4F4O |
| Durchschnittliche Molmasse | 192,11 g/mol |
| Monoisotopische Masse | 192,01982763 g/mol |
| SMILES | O=Cc1c(F)cccc1C(F)(F)F |
| InChIKey | FAKUGVHRTLCKHB-UHFFFAOYSA-N |
| PubChem CID | 521933 |
| EC No. | 625-623-0 |
| DTXSID | DTXSID10334787 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 189 |
| Schmelzpunkt | 155-157°C |
| Siedepunkt | 156 °C (lit.) |
| Dichte | 1.432 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.458(lit.) |
| Flammpunkt | 179 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 2263481 |
| InChI | InChI=1S/C8H4F4O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-4H |
| InChIKey | FAKUGVHRTLCKHB-UHFFFAOYSA-N |
| SMILES | C(=O)C1=C(C(F)(F)F)C=CC=C1F |
| CAS Datenbank | 60611-24-7(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 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 | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Fluoro-6-(trifluoromethyl)benzaldehyde may be employed for the synthesis of diaryl ether, 2-(3,5-dimethoxyphenoxy)-6-(trifluoromethyl)- benzonitrile and substituted benzo[b]thiophene-2-carboxylates.