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1-(4-Chlorophenyl)ethylamine
(R)-1-(4-CHLOROPHENYL)ETHANAMINE · NSC42452 · SBB004019 · 549142_ALDRICH · ASISCHEM C56839 · EINECS 228-576-0 · TIMTEC-BB SBB004019 · P-Chloro-Α-Phenylethylamine
Identifikatoren & physikalische Daten
| CAS No. | 6299-02-1 |
|---|---|
| Summenformel | C8H10ClN |
| Durchschnittliche Molmasse | 155,62 g/mol |
| Monoisotopische Masse | 155,050177 g/mol |
| SMILES | CC(N)c1ccc(Cl)cc1 |
| InChIKey | PINPOEWMCLFRRB-UHFFFAOYSA-N |
| PubChem CID | 97803 |
| ChEMBL | CHEMBL4214761 |
| EC No. | 228-576-0 |
| DTXSID | DTXSID101346878 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 97,4 |
| Schmelzpunkt | 140-141 °C |
| Siedepunkt | 82.4 °C (2.77537 mmHg) |
| Dichte | 1.080 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.543(lit.) |
| Flammpunkt | 217 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 8.82±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow |
| InChI | 1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3 |
| InChIKey | PINPOEWMCLFRRB-UHFFFAOYSA-N |
| SMILES | CC(N)c1ccc(Cl)cc1 |
| CAS Datenbank | 6299-02-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-34 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29214900 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | IRRITANTEye Dam. 1Skin Corr. 1B |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
1-(4-Chlorophenyl)ethylamine is a chiral amine that may be used in the preparation of N-phenylacetyl-(R)-1-(4-chlorophenyl)ethylamine via enantioselective acylation in aqueous medium and in the presence of penicillin acylase from Alcaligenes faecalis.