HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluoro-4-hydroxybenzaldehyde
3-Fluoro-4-formylphenol · 2-Fluoro-6-nitroacetophenone · 2-FLURO-4-HYDROXYBENZALDEHYDE · 2-FLUORO-4-HYDROXYBENZALDEHYDE · Benzaldehyde, 2-fluoro-4-hydroxy- · 2-Fluoro-4-hydroxybenzaldehyde,98%
Identifikatoren & physikalische Daten
| CAS No. | 348-27-6 |
|---|---|
| Summenformel | C7H5FO2 |
| Durchschnittliche Molmasse | 140,11 g/mol |
| Monoisotopische Masse | 140,02735762 g/mol |
| SMILES | O=Cc1ccc(O)cc1F |
| InChIKey | ONRPXRPUBXXCCM-UHFFFAOYSA-N |
| PubChem CID | 587246 |
| ChEMBL | CHEMBL1650249 |
| EC No. | 642-692-2 |
| DTXSID | DTXSID30343078 |
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 | 168-170°C |
| Siedepunkt | 254.2±20.0 °C(Predicted) |
| Dichte | 1.350±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | crystalline powder |
| pKa (Säurekonstante) | 6.78±0.18(Predicted) |
| Farbe | Light tan |
| InChI | InChI=1S/C7H5FO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H |
| InChIKey | ONRPXRPUBXXCCM-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(O)C=C1F |
| CAS Datenbank | 348-27-6(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 37 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2912490090 |
| R-Sätze (R) | 22-37/38-41-52 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-39 |
Anwendungen & Verwendung
Verwenden
2-Fluoro-4-hydroxybenzaldehyde is a useful reagent for preparation of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors.
Verwenden
2-Fluoro-4-hydroxybenzaldehyde is mainly used as an intermediate for physiologically active compounds such as pharmaceuticals or pesticides and is a wide range of organic building blocks. Its structure contains fluorine, aldehyde groups, and phenolic hydroxyl groups, and these groups can add or replace other functional groups.