HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Benzyl-2-chloroacetamide
NSC60743 · AI3-23530 · NSC 60743 · CCRIS 1828 · BRN 2091813 · AKOS B029210 · ZINC00028344 · A2573/0109715
Identifikatoren & physikalische Daten
| CAS No. | 2564-06-9 |
|---|---|
| Summenformel | C9H10ClNO |
| Durchschnittliche Molmasse | 183,63 g/mol |
| Monoisotopische Masse | 183,04509162 g/mol |
| SMILES | O=C(CCl)NCc1ccccc1 |
| InChIKey | SRAXAXHQMCQHSH-UHFFFAOYSA-N |
| PubChem CID | 96233 |
| ChEMBL | CHEMBL3244845 |
| EC No. | 813-125-8 |
| DTXSID | DTXSID90180325 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 143 |
| Schmelzpunkt | 93-96 °C (lit.) |
| Siedepunkt | 367.5±35.0 °C(Predicted) |
| Dichte | 1.1661 g/cm3 |
| Lagerbedingungen | Storage temp. 2-8°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.25±0.46(Predicted) |
| Farbe | Pale Beige |
| InChI | 1S/C9H10ClNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12) |
| InChIKey | SRAXAXHQMCQHSH-UHFFFAOYSA-N |
| SMILES | ClCC(=O)NCc1ccccc1 |
| CAS Datenbank | 2564-06-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2924297099 |
| RTECS-Nr. | AB4546570 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chloro-N-benzylacetamide may be used in the preparation of: 2-[4-(Aryl substituted) piperazin-1-yl]-N-benzylacetamides by reacting with corresponding arylpiperazines.N-Methylacetamide and N-benzylacetamide by reacting with di-tert-butyl 1,4,7-triazacyclononane-1,4-diacetate.bis[N-Benzyl-2-(quinolin-8-yl-oxy)acetamide] monohydrate by reacting with 8-hydroxyquinoline.N-Benzyl-2-(1H-imidazol-1-yl)acetamide by reacting with imidazole.