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2,4-Dihydroxybenzamid
p-hydroxysaliamide · β-Resorcylamide · B-RESORCYL AMIDE · P-Hydroxysalicylamide · 2-Hydroxysalicylamide · 2,4-dihydroxy-benzamid · 4-HYDROXY SALICYLAMIDE · 2,4-DIHYDROXYBENZAMIDE
Identifikatoren & physikalische Daten
| CAS No. | 3147-45-3 |
|---|---|
| Summenformel | C7H7NO3 |
| Durchschnittliche Molmasse | 153,14 g/mol |
| Monoisotopische Masse | 153,04259308 g/mol |
| SMILES | NC(=O)c1ccc(O)cc1O |
| InChIKey | IIUJCQYKTGNRHH-UHFFFAOYSA-N |
| PubChem CID | 76601 |
| EC No. | 221-567-2 |
| DTXSID | DTXSID8062868 |
| Lokaler Name | 2,4-Dihydroxybenzamid |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 160 |
| LogP (Verteilungskoeffizient) | -0.15 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 228 °C |
| Siedepunkt | 455.8±15.0 °C(Predicted) |
| Dichte | 1.458±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 8.15±0.10(Predicted) |
| Farbe | White to Light red to Green |
| InChI | InChI=1S/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11) |
| InChIKey | IIUJCQYKTGNRHH-UHFFFAOYSA-N |
| SMILES | C(N)(=O)C1=CC=C(O)C=C1O |
| CAS Datenbank | 3147-45-3(CAS DataBase Reference) |
| EPA chemische Informationen | Benzamide, 2,4-dihydroxy- (3147-45-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, 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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 05-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23143 |
| Hazard Classes and Categories | Skin Irrit. 2 (66.7%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2924.29.7790 |
Anwendungen & Verwendung
Verwenden
2,4-Dihydroxybenzamide is a specific inhibitor of glutathione reductase.