HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluoro-4-hydroxybenzaldehyde
uoro-4-hydroxybenzaL · 2-Fluoro-4-formylphenol · 4-HYDROXY-3-FLUOROBENZALDEHYDE · 3-FLUORO-4-HYDROXYBENZALDEHYDE · 3-Fluoro-4-hydroxybenzaldehyde>Benzaldehyde, 3-fluoro-4-hydroxy- · 3-Fluoro-4-hydroxybenzaldehyde ,98%
Identifikatoren & physikalische Daten
| CAS No. | 405-05-0 |
|---|---|
| Summenformel | C7H5FO2 |
| Durchschnittliche Molmasse | 140,11 g/mol |
| Monoisotopische Masse | 140,02735762 g/mol |
| SMILES | O=Cc1ccc(O)c(F)c1 |
| InChIKey | QSBHJTCAPWOIIE-UHFFFAOYSA-N |
| PubChem CID | 587250 |
| EC No. | 609-839-2 |
| DTXSID | DTXSID00343080 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| 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 | 121-124°C |
| Siedepunkt | 225.6±20.0 °C(Predicted) |
| Dichte | 1.4710 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 6.52±0.18(Predicted) |
| Farbe | Light yellow to Yellow to Orange |
| BRN | 3234259 |
| InChI | InChI=1S/C7H5FO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H |
| InChIKey | QSBHJTCAPWOIIE-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(O)C(F)=C1 |
| CAS Datenbank | 405-05-0(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 9 reports by companies from 4 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) | WGK 3 |
| Zollcode | 29145090 |
| R-Sätze (R) | 36/37/38-52-41-37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-36/37/39-27-39 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Fluoro-4-hydroxybenzaldehyde can be used to synthesize 3-Cyclopropylmethoxy-4-difluoromethoxybenzoic Acid (C988720), which is an impurity and intermediate in the preparation of Roflumilast (R639700).