HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluor-p-anisaldehyd
3-Fluoroanisaldehyde · 3-FLUORO-4-ANISALDEHYDE · 3-FLUORO-P-ANISALDEHYDE · 3-fluoro-para-anisaldehyde · 3-Fluoro-p-anisaldehyde>3-FLUORO-4-METHOXYBENZALDEHYDE · 4-Methoxy-3-fluorobenzaldehyde · Benzaldehyde, 3-fluoro-4-methoxy- · 3-Fluoro-4-methoxybenzaldehyde,98%
Identifikatoren & physikalische Daten
| CAS No. | 351-54-2 |
|---|---|
| Summenformel | C8H7FO2 |
| Durchschnittliche Molmasse | 154,14 g/mol |
| Monoisotopische Masse | 154,04300768 g/mol |
| SMILES | COc1ccc(C=O)cc1F |
| InChIKey | SOQCZBSZZLWDGU-UHFFFAOYSA-N |
| PubChem CID | 67696 |
| EC No. | 206-514-3 |
| DTXSID | DTXSID20188596 |
| Lokaler Name | 3-Fluor-p-anisaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 138 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 34-35 °C (lit.) |
| Siedepunkt | 129-132°C 11mm |
| Dichte | 1.192±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| BRN | 1942621 |
| InChI | InChI=1S/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3 |
| InChIKey | SOQCZBSZZLWDGU-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(OC)C(F)=C1 |
| CAS Datenbank | 351-54-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 21-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28403 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 37/39-26-36 |
| Gefahrenklasse | IRRITANT, AIR SENSITIVE |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Fluoro-4-methoxybenzaldehyde is a useful reagent in the synthesis of resveratrol derivatives as potent inhibitors of lysine specific demethylase 1 (LSD1), a therapeutic target for cancer treatment and other related diseases. Also a reagent for the synthesis of substituted pyrazolyl piperidine derivatives as antiplatelet agents with antiplatelet aggregation activity in the human body.