HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Aminobenzylalkohol
(2-AMINOPHENYL)METHANOL · oABAIc · 2-AminobenzyL · O-ACETAMINOPHENOL · RARECHEM AQ BD 0001 · Ambroxol Impurity 53 · o-amino-benzylalcoho · Mianserin impurity C
Identifikatoren & physikalische Daten
| CAS No. | 5344-90-1 |
|---|---|
| Summenformel | C7H9NO |
| Durchschnittliche Molmasse | 123,15 g/mol |
| Monoisotopische Masse | 123,06841391 g/mol |
| SMILES | Nc1ccccc1CO |
| InChIKey | VYFOAVADNIHPTR-UHFFFAOYSA-N |
| PubChem CID | 21439 |
| ChEMBL | CHEMBL1235999 |
| EC No. | 226-293-7 |
| DTXSID | DTXSID6063800 |
| Lokaler Name | 2-Aminobenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Physical Description | Off-white crystalline powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 81-83 °C(lit.) |
| Siedepunkt | 162 °C15 mm Hg(lit.) |
| Dichte | 1.0877 (rough estimate) |
| Brechungsindex | 1.4905 |
| Flammpunkt | 160°C/10mm |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 14.21±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Beige to gray-brown |
| Löslichkeit | Very soluble in water. |
| BRN | 1072211 |
| InChI | 1S/C7H9NO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5,8H2 |
| InChIKey | VYFOAVADNIHPTR-UHFFFAOYSA-N |
| SMILES | Nc1ccccc1CO |
| CAS Datenbank | 5344-90-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Aminobenzyl alcohol(5344-90-1) |
| EPA chemische Informationen | 2-Aminobenzenemethanol (5344-90-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (36.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, 2-amino-Status: Active Update: 11-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20017Benzenemethanol, 2-amino-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See 2-Aminophenol. |
| Hazard Classes and Categories | Acute Tox. 4 (36.8%) |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29221980 |
| RTECS-Nr. | DN3155000 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Aminobenzyl alcohol was used in the synthesis of ethyl 2-hydroxymethylcarbanilate.