HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4'-Hydroxybutyranilid
4'-Hydroxybutyranilide · N-Butyryl-p-aminophenol · N-BUTYRYL-PARA-AMINOPHENOL · 4'-Hydroxybutyranilide 97% · N-(4-hydroxyphenyl)butyramide · n-(4-hydroxyphenyl)-butanamid · Butanamide, N-(4-hydroxyphenyl)- · 4′-Hydroxybutyranilide, CAS 101-91-7
Identifikatoren & physikalische Daten
| CAS No. | 101-91-7 |
|---|---|
| Summenformel | C10H13NO2 |
| Durchschnittliche Molmasse | 179,22 g/mol |
| Monoisotopische Masse | 179,09462866 g/mol |
| SMILES | CCCC(=O)Nc1ccc(O)cc1 |
| InChIKey | KESXDDATSRRGAH-UHFFFAOYSA-N |
| PubChem CID | 66874 |
| EC No. | 202-988-0 |
| DTXSID | DTXSID0059241 |
| Lokaler Name | 4'-Hydroxybutyranilid |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 162 |
| Schmelzpunkt | 137-141 °C (lit.) |
| Siedepunkt | 311.75°C (rough estimate) |
| Dichte | 1.1248 (rough estimate) |
| Brechungsindex | 1.5710 (estimate) |
| pKa (Säurekonstante) | 10.12±0.26(Predicted) |
| Merck | 13,4839 |
| InChI | 1S/C10H13NO2/c1-2-3-10(13)11-8-4-6-9(12)7-5-8/h4-7,12H,2-3H2,1H3,(H,11,13) |
| InChIKey | KESXDDATSRRGAH-UHFFFAOYSA-N |
| SMILES | CCCC(=O)Nc1ccc(O)cc1 |
| EPA chemische Informationen | Butanamide, N-(4-hydroxyphenyl)- (101-91-7) |
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 39 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 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
N-(4-Hydroxyphenyl)butanamide is a useful reagent for organic synthesis.