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4,6-Dimethoxysalicylaldehyd
2-HYDROXY-4,6-DIMETHOXYBENZALDEHYDE · EOS-61929 · LABOTEST-BB LT00233212 · 4,6-DIMETHOXYSALICYLALDEHYDE · 4,6-Dimethoxysalicylaldehyde>4,6-Dimethoxysalicylaldehyde,98% · 2,4-DIMETHOXY-6-HYDROXYBENZALDEHYDE · 4,6-DIMETHOXY-2-HYDROXYBENZALDEHYDE · Benzaldehyde, 2-hydroxy-4,6-dimethoxy-
Identifikatoren & physikalische Daten
| CAS No. | 708-76-9 |
|---|---|
| Summenformel | C9H10O4 |
| Durchschnittliche Molmasse | 182,17 g/mol |
| Monoisotopische Masse | 182,0579088 g/mol |
| SMILES | COc1cc(O)c(C=O)c(OC)c1 |
| InChIKey | FQRQWPNYJOFDLO-UHFFFAOYSA-N |
| PubChem CID | 69725 |
| ChEMBL | CHEMBL3660367 |
| EC No. | 211-904-1 |
| DTXSID | DTXSID3022110 |
| Lokaler Name | 4,6-Dimethoxysalicylaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 171 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 68-70 °C (lit.) |
| Siedepunkt | 131°C/0.05mmHg(lit.) |
| Dichte | 1.2481 (rough estimate) |
| Brechungsindex | 1.4500 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 7.42±0.15(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light orange |
| BRN | 1241679 |
| InChI | InChI=1S/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3 |
| InChIKey | FQRQWPNYJOFDLO-UHFFFAOYSA-N |
| SMILES | C(=O)C1=C(OC)C=C(OC)C=C1O |
| CAS Datenbank | 708-76-9(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 41 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%) |
| F | 9-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2912490090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Harmful/Store Cold |
| Sicherheitshinweise (S) | 26-36-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4,6-Dimethoxysalicylaldehyde was used in the preparation of a new class of efficient ketocoumarin triplet sensitizers. It was used as staring reagent in the total synthesis of (+/-)-linderol A, a hexahydrodibenzofuran.