HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Hydroxybenzamid
4-HYDROXYBENZAMIDE · P-HYDROXYBENZAMIDE · Benzamide,p-hydroxy- · Benzamide,4-hydroxy- · 4-Hydroxybenzamide>4-HYDROXYBENZAMIDE 98% · Tetracaine Impurity 47 · 4-HYDROXYBENZAMIDE, 97+% · 4-Hydroxybenzamide, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 619-57-8 |
|---|---|
| Summenformel | C7H7NO2 |
| Durchschnittliche Molmasse | 137,14 g/mol |
| Monoisotopische Masse | 137,04767846 g/mol |
| SMILES | NC(=O)c1ccc(O)cc1 |
| InChIKey | QXSAKPUBHTZHKW-UHFFFAOYSA-N |
| PubChem CID | 65052 |
| ChEMBL | CHEMBL123617 |
| ChEBI | CHEBI:220253 |
| EC No. | 210-602-7 |
| DTXSID | DTXSID10210931 |
| Lokaler Name | p-Hydroxybenzamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 128 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 0.33 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 161-162 °C (lit.) |
| Siedepunkt | 345.3±25.0 °C(Predicted) |
| Dichte | 1.286±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 8.60±0.13(Predicted) |
| Farbe | White to Light yellow to Dark green |
| BRN | 1906921 |
| InChI | InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10) |
| InChIKey | QXSAKPUBHTZHKW-UHFFFAOYSA-N |
| SMILES | C(N)(=O)C1=CC=C(O)C=C1 |
| CAS Datenbank | 619-57-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 11.3% (6 of 53) of reports.WarningH315 (88.7%): 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 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (88.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29242990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Hydroxybenzamide is a secondary metabolite from marine sponge Phakellia fusca.