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3,5-Dihydroxybenzaldehyd
yde · 3,5-DihydroxybenzaL · Terbutaline Impurity 43 · ALPHA-RESORCYLIC ALDEHYDE · 3,5-DIHYDROXYBENZALDEHYDE · 3,5-DIHYDOXYBENZAL DEHYDE · 3,5-2-hydroxybenzaldehyde · Benzaldehyde, 3,5-dihydroxy-
Identifikatoren & physikalische Daten
| CAS No. | 26153-38-8 |
|---|---|
| Summenformel | C7H6O3 |
| Durchschnittliche Molmasse | 138,12 g/mol |
| Monoisotopische Masse | 138,03169405 g/mol |
| SMILES | O=Cc1cc(O)cc(O)c1 |
| InChIKey | HAQLHRYUDBKTJG-UHFFFAOYSA-N |
| PubChem CID | 94365 |
| ChEBI | CHEBI:50204 |
| EC No. | 247-479-4 |
| DTXSID | DTXSID60180776 |
| Lokaler Name | 3,5-Dihydroxybenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 114 |
| Schmelzpunkt | 153-158 °C (lit.) |
| Siedepunkt | 324.3±12.0 °C(Predicted) |
| Dichte | 1.409±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in ethanol and diethyl ether. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 8.73±0.10(Predicted) |
| Farbe | White to tan to gray |
| BRN | 1930147 |
| InChI | InChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H |
| InChIKey | HAQLHRYUDBKTJG-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC(O)=CC(O)=C1 |
| LogP (Verteilungskoeffizient) | 0.973 (est) |
| CAS Datenbank | 26153-38-8(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 5 reports by companies from 2 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) | 3 |
| Zollcode | 29124990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26 |
| Gefahrenklasse | IRRITANT, AIR SENSITIVE |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
3,5-Dihydroxybenzaldehyde is a building block. It has been used in the synthesis of 2,4-dimethylbenzoylhydrazones with antileishmanial and antioxidant activities.
Verwenden
3,5-Dihydroxybenzaldehyde is suitable for use in the synthesis of 3,5-dihydroxyphenylglycine (3,5-DHPG). It may be used in the synthesis of:fulgide73,5-bis(undeca-4,6-diynyloxy)benzaldehyde3,5-didodecyloxybenzaldehyde1′-methyl-1′,5′-dihydro-2′-(3,5-bis(undeca-4,6-diynyloxy)phenyl)-1H-pyrrolo[3′,4′:1,9](C60-Ih)[5,6]fullerene (F2D)