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o-Chlorphenethylamin
2-(2-CHLOROPHENYL)ETHYLAMINE · OCPAM · TIMTEC-BB SBB004022 · RARECHEM AL BW 0049 · 2-CHLOROPHENETYLAMINE · O-CHLOROPHENETHYLAMINE · 2-CHLOROPHENETHYLAMINE · 2'-CHLOROPHENETHYLAMINE
Identifikatoren & physikalische Daten
| CAS No. | 13078-80-3 |
|---|---|
| Summenformel | C8H10ClN |
| Durchschnittliche Molmasse | 155,62 g/mol |
| Monoisotopische Masse | 155,050177 g/mol |
| SMILES | NCCc1ccccc1Cl |
| InChIKey | RZBOMSOHMOVUES-UHFFFAOYSA-N |
| PubChem CID | 83117 |
| ChEMBL | CHEMBL407939 |
| EC No. | 235-982-1 |
| DTXSID | DTXSID30156741 |
| Lokaler Name | o-Chlorphenethylamin |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 95,3 |
| Schmelzpunkt | 145 °C |
| Siedepunkt | 120 °C15 mm Hg(lit.) |
| Dichte | 1.106 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.551(lit.) |
| Flammpunkt | 228 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 9.56±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.11 |
| Farbe | Clear colorless to yellow |
| InChI | 1S/C8H10ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2 |
| InChIKey | RZBOMSOHMOVUES-UHFFFAOYSA-N |
| SMILES | NCCc1ccccc1Cl |
| CAS Datenbank | 13078-80-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzeneethanamine, 2-chloro-(13078-80-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (95.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, 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. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (95.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2735 8/PG 3 |
| Zollcode | 29214990 |
| R-Sätze (R) | 36/37/38-34 |
| Gefahrensymbole | Xi,C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-45-36/37/39 |
| Gefahrenklasse | IRRITANT, IRRITANT-HARMFULSkin Corr. 1B |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-(2-Chlorophenyl)ethylamine was used in the synthesis of polymer bound BOC substituted sulfamides.