HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluoro-5-hydroxybenzaldehyde
2-Fluoro-5-hydroxybenzaldehyde · Benzaldehyde, 2-fluoro-5-hydroxy- · 2-Fluoro-5-hydroxybenzaldehyde, 98%min
Identifikatoren & physikalische Daten
| CAS No. | 103438-84-2 |
|---|---|
| Summenformel | C7H5FO2 |
| Durchschnittliche Molmasse | 140,11 g/mol |
| Monoisotopische Masse | 140,02735762 g/mol |
| SMILES | O=Cc1cc(O)ccc1F |
| InChIKey | SNILBNSNKISKLU-UHFFFAOYSA-N |
| PubChem CID | 587247 |
| EC No. | 101-129-6 |
| DTXSID | DTXSID90343079 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 127 |
| Schmelzpunkt | 74-75 °C |
| Siedepunkt | 257.6±20.0 °C(Predicted) |
| Dichte | 1.350±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | 9.25±0.18(Predicted) |
| InChI | InChI=1S/C7H5FO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H |
| InChIKey | SNILBNSNKISKLU-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC(O)=CC=C1F |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2912490090 |
Anwendungen & Verwendung
Verwenden
2-Fluoro-5-hydroxybenzaldehyde is used in the enantioselective synthesis of 1,1''-spirobiindane-7,7''-diol (SPINOL) derivatives.