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2,4-Dihydroxybenzaldehyd
Benzaldehyde, 2,4-dihydroxy- · 4-Hydroxysalicylaldehyde · BETA-RESORCYLIC ALDEHYDE · 2,4-Dihydroxybenzaldehyde(-Resorcylaldehyde) · NC 012 · NSC 8690 · 4-Dihydrox · AKOS 227-33
Identifikatoren & physikalische Daten
| CAS No. | 95-01-2 |
|---|---|
| Summenformel | C7H6O3 |
| Durchschnittliche Molmasse | 138,12 g/mol |
| Monoisotopische Masse | 138,03169405 g/mol |
| SMILES | O=Cc1ccc(O)cc1O |
| InChIKey | IUNJCFABHJZSKB-UHFFFAOYSA-N |
| PubChem CID | 7213 |
| ChEMBL | CHEMBL243587 |
| ChEBI | CHEBI:50198 |
| EC No. | 202-383-1 |
| DTXSID | DTXSID8021806 |
| Lokaler Name | 2,4-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 |
| SpringerMaterials Properties | Angular frequency |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 135-137 °C (lit.) |
| Siedepunkt | 220-228 °C/22 mmHg (lit.) |
| Dichte | 1.2667 (rough estimate) |
| Brechungsindex | 1.4600 (estimate) |
| Flammpunkt | 220°C/22mm |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)soluble |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 7.56±0.18(Predicted) |
| Farbe | White to beige |
| Merck | 14,8156 |
| BRN | 878548 |
| Stabilität | Stable. May be air sensitive. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H |
| InChIKey | IUNJCFABHJZSKB-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1ccc(O)cc1O |
| LogP (Verteilungskoeffizient) | 1.229 (est) |
| CAS Datenbank | 95-01-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 2,4-dihydroxy-(95-01-2) |
| EPA chemische Informationen | Benzaldehyde, 2,4-dihydroxy- (95-01-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 2,4-dihydroxy- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29124900 |
| RTECS-Nr. | VH3600000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
2,4-Dihydroxybenzaldehyde is a resorcinol (R144700) derivative with potent antioxidative and antibacterial activity.