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2,3-Dihydroxybenzaldehyd
3-Formylcatechol · TIMTEC-BB SBB004190 · 2,3-DihydroxybenzaL · 2,3-Dihydroxybenzald · o-Pyrocatechualdehyde · 3-Formyl-1,2-benzenediol · 3-Hydroxysalicylaldehyde · 5,6-Dihydroxybenzaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 24677-78-9 |
|---|---|
| Summenformel | C7H6O3 |
| Durchschnittliche Molmasse | 138,12 g/mol |
| Monoisotopische Masse | 138,03169405 g/mol |
| SMILES | O=Cc1cccc(O)c1O |
| InChIKey | IXWOUPGDGMCKGT-UHFFFAOYSA-N |
| PubChem CID | 90579 |
| ChEMBL | CHEMBL491995 |
| ChEBI | CHEBI:50197 |
| EC No. | 246-398-1 |
| DTXSID | DTXSID90179411 |
| Lokaler Name | 2,3-Dihydroxybenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 124 |
| Schmelzpunkt | 104-108 °C (lit.) |
| Siedepunkt | 120 °C / 16mmHg |
| Dichte | 1,542g/cm |
| Brechungsindex | 1.4600 (estimate) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | 95% ethanol: soluble50mg/mL, clear, colorless to greenish-yellow |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 8.01±0.10(Predicted) |
| Farbe | Light yellow to beige-greenish |
| BRN | 2041781 |
| InChI | 1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H |
| InChIKey | IXWOUPGDGMCKGT-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1cccc(O)c1O |
| LogP (Verteilungskoeffizient) | 1.325 (est) |
| CAS Datenbank | 24677-78-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2,3-Dihydroxybenzaldehyde(24677-78-9) |
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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29124900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,3-Dihydroxybenzaldehyde was used in the synthesis of copper(II) complexes of Schiff bases. It was also used in the synthesis of 2-ethoxy-3-hydroxy-4-nitrobenzoic acid.