HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Fluorphenethylamin
p-fluorophenethylamine · AURORA KA-7015 · RARECHEM AL BW 0215 · 4-FLUOROPHENETHYLAMINE · 4-Fluorophenethanamine · 4-FLUOROPHENYLETHYLAMINE · (P-FLUOROPHENYL)ETHYLAMINE · 4-Fluoro-benzeneethanaMine
Identifikatoren & physikalische Daten
| CAS No. | 1583-88-6 |
|---|---|
| Summenformel | C8H10FN |
| Durchschnittliche Molmasse | 139,17 g/mol |
| Monoisotopische Masse | 139,07972754 g/mol |
| SMILES | NCCc1ccc(F)cc1 |
| InChIKey | CKLFJWXRWIQYOC-UHFFFAOYSA-N |
| PubChem CID | 4653 |
| ChEMBL | CHEMBL217315 |
| EC No. | 216-435-6 |
| DTXSID | DTXSID70166400 |
| Lokaler Name | p-Fluorphenethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 87,3 |
| Siedepunkt | 50-52 °C/0.15 mmHg (lit.) |
| Dichte | 1.061 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.5072(lit.) |
| Flammpunkt | 174 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 9.84±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.061 |
| Farbe | Yellow |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2 |
| InChIKey | CKLFJWXRWIQYOC-UHFFFAOYSA-N |
| SMILES | C1(CCN)=CC=C(F)C=C1 |
| CAS Datenbank | 1583-88-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (93.2%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (93.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2922 8/PG 2 |
| Zollcode | 29214200 |
| R-Sätze (R) | 23/24/25-34 |
| Gefahrensymbole | T,C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 3 OralSkin Corr. 1B |
| Verpackungsgruppe | Ⅱ |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Fluorophenethylamine may be employed as nucleophile in the synthesis of 2-amino-4-arylpyrimidine derivatives. It is suitable for use in the preparation of ortho-metalated primary phenethylamines having electron-releasing and electron-withdrawing groups on the aromatic ring, leading to complexes containing six membered palladacycles.