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4-Hydroxyphenylacetamid
para-Hydroxyphenylacetamide · PHAA · 500G · 1KG · 5KG · Atenlol Imp A · ATENOLOL IMP A · Compound Fr14145
Identifikatoren & physikalische Daten
| CAS No. | 17194-82-0 |
|---|---|
| Summenformel | C8H9NO2 |
| Durchschnittliche Molmasse | 151,16 g/mol |
| Monoisotopische Masse | 151,06332853 g/mol |
| SMILES | NC(=O)Cc1ccc(O)cc1 |
| InChIKey | YBPAYPRLUDCSEY-UHFFFAOYSA-N |
| PubChem CID | 86986 |
| ChEMBL | CHEMBL447310 |
| ChEBI | CHEBI:194828 |
| EC No. | 241-235-0 |
| DTXSID | DTXSID4066171 |
| Lokaler Name | 4-Hydroxyphenylacetamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 139 |
| Schmelzpunkt | 176-178 °C (lit.) |
| Siedepunkt | 273.17°C (rough estimate) |
| Dichte | 1.2023 (rough estimate) |
| Brechungsindex | 1.5810 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)soluble |
| Aggregatzustand | Fine Crystalline Powder |
| pKa (Säurekonstante) | 9.99±0.26(Predicted) |
| Farbe | Beige |
| BRN | 2085984 |
| InChI | 1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11) |
| InChIKey | YBPAYPRLUDCSEY-UHFFFAOYSA-N |
| SMILES | NC(=O)Cc1ccc(O)cc1 |
| CAS Datenbank | 17194-82-0(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Hydroxyphenylacetamide(17194-82-0) |
| EPA chemische Informationen | Benzeneacetamide, 4-hydroxy- (17194-82-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (94.2%): 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 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 19-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22972 |
| Hazard Classes and Categories | Skin Irrit. 2 (94.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29242990 |
| RTECS-Nr. | AC3851500 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-24/25-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-(Hydroxyphenyl)acetamide is used as an intermediate for the synthesis of Atenolol (A790075) and various other organic compounds and pharmaceuticals. It is a process impurity for Atenolol (A790075)