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6-Methoxysalicylaldehyd
6-METHOXYSALICYLALDEHYDE · 6-METHOXYS · AKOS 222-39 · AKOS MSC-0132 · AKOS BBS-00007008 · 6-HYDROXYANISALDEHYDE · 2-HYDROXY-P-ANISALDEHYDE · 2-HYDROXY-4-ANISALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 700-44-7 |
|---|---|
| Summenformel | C8H8O3 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,04734412 g/mol |
| SMILES | COc1cccc(O)c1C=O |
| InChIKey | DZJPDDVDKXHRLF-UHFFFAOYSA-N |
| PubChem CID | 69692 |
| EC No. | 211-844-6 |
| DTXSID | DTXSID60220262 |
| Lokaler Name | 6-Methoxysalicylaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 135 |
| Schmelzpunkt | 41-43 °C(lit.) |
| Siedepunkt | 262.9±20.0 °C(Predicted) |
| Dichte | 1.231±0.06 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)Slightly soluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7.79±0.10(Predicted) |
| Farbe | Pale Yellow to Brown |
| BRN | 1101524 |
| InChI | InChI=1S/C8H8O3/c1-11-8-4-2-3-7(10)6(8)5-9/h2-5,10H,1H3 |
| InChIKey | DZJPDDVDKXHRLF-UHFFFAOYSA-N |
| SMILES | C(=O)C1=C(OC)C=CC=C1O |
| CAS Datenbank | 700-44-7(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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2912490090 |
| RTECS-Nr. | BZ2810000 |
| R-Sätze (R) | 36/37/38-43-36-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-26/36-36/37/39-27-36/37 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Hydroxy-6-methoxybenzaldehyde is used as pharmaceutical intermediate.