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m-Hydroxybenzohydrazid
3-Hydroxybenzohydrazide · 3-HYDROXYBENZOIC HYDRAZIDE · 1431176 · SBB000110 · MLS000417077 · SMR000241897 · ZINC00031292 · Oprea1_488404
Identifikatoren & physikalische Daten
| CAS No. | 5818-06-4 |
|---|---|
| Summenformel | C7H8N2O2 |
| Durchschnittliche Molmasse | 152,15 g/mol |
| Monoisotopische Masse | 152,0585775 g/mol |
| SMILES | NNC(=O)c1cccc(O)c1 |
| InChIKey | OACGSLLKFCMXSX-UHFFFAOYSA-N |
| PubChem CID | 79889 |
| ChEMBL | CHEMBL1351031 |
| EC No. | 227-389-1 |
| DTXSID | DTXSID00206904 |
| Lokaler Name | m-Hydroxybenzohydrazid |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 75,4 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 149 |
| LogP (Verteilungskoeffizient) | -0.08 |
| Schmelzpunkt | 158-161 °C (lit.) |
| Dichte | 1.318±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 9.29±0.10(Predicted) |
| Farbe | White to Light yellow |
| BRN | 638933 |
| InChI | 1S/C7H8N2O2/c8-9-7(11)5-2-1-3-6(10)4-5/h1-4,10H,8H2,(H,9,11) |
| InChIKey | OACGSLLKFCMXSX-UHFFFAOYSA-N |
| SMILES | NNC(=O)c1cccc(O)c1 |
| CAS Datenbank | 5818-06-4(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 46 reports by companies from 6 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 | 29280000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-36-37 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Hydroxybenzoic hydrazide may be used in the following studies:As starting reagent in the preparation of hydrazide intermediates, required for the synthesis of the brevenal analogs.Synthesis of N′-[4-(dimethylamino)benzylidene]-3-hydroxybenzohydrazide.Synthesis of N′-(5-bromo-2-hydroxybenzylidene)-3-hydroxybenzohydrazide.