4-Nitrophenethylaminhydrochlorid
4-NITROPHENYLETHYLAMINE HYDROCHLORIDE · 2-(4-nitrophenyl)ethan-1-aMine hydrochloride · 4-NITROPHENYLETHYLAMINE HCL · P-nitrophenyl riMantadine hydrochloride · 4-Nitrophcnethylamine · 4-NITROPHENYLAMINEHCL · 4-NITROPHENETHYLAMINE HCL · Mirabegron Impurity 6 HCl
Identifikatoren & physikalische Daten
| CAS No. | 29968-78-3 |
|---|---|
| Summenformel | C8H11ClN2O2 |
| Durchschnittliche Molmasse | 202,64 g/mol |
| SMILES | Cl.NCCc1ccc([N+](=O)[O-])cc1 |
| InChIKey | JVMHULJEYUQYSH-UHFFFAOYSA-N |
| PubChem CID | 458983 |
| EC No. | 249-980-3 |
| Lokaler Name | 4-Nitrophenethylaminhydrochlorid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 71,8 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 148 |
| Schmelzpunkt | 200 °C (dec.)(lit.) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in methanol almost transparency. |
| Aggregatzustand | Crystalline Powder |
| Farbe | Yellow to yellow-green |
| BRN | 3568915 |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C8H10N2O2.ClH/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6,9H21H |
| InChIKey | JVMHULJEYUQYSH-UHFFFAOYSA-N |
| SMILES | C1([N+]([O-])=O)C=CC(CCN)=CC=1.Cl |
| CAS Datenbank | 29968-78-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 7% (8 of 114) of reports.H411 (91.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 114 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Aquatic Chronic 2 (91.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29214990 |
| R-Sätze (R) | 36/37/38-40 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Nitrophenethylamine hydrochloride was used in the synthesis of ortho-metalated primary phenethylamines complexes containing six-membered palladacycles and N-(4-nitrophenethyl)formamide.
Herstellung & Synthese
synthetische
The preparation of 4-Nitrophenethylamine hydrochloride is as follows:Ten mL of 2M HCl was then added in a one-pot fashion, and, in all cases but threonine, the reaction vessel was heated to 190°Cover 5 min with stirring and then allowed to cool. In the case of the temperature-sensitive threonine, soxhlet extraction with toluene was performed at 80°C to remove R-carvone from the reaction mixture. The aqueous reaction mixture was washed three times with 25 mL of ether, and then water solvent was distilled off from the hydrochloride salt. The hydrochloride salt was transferred to a vacuum oven and dried overnight at 150 °C and 10 Torr.