HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(2-Benzoyl-4-chlorphenyl)-2-chloracetamid
CCB · N-(2-BENZOYL-4-CHLOROPHENYL)-2-CHLOROACETAMIDE · NSC 270127 · AKOS BBS-00006348 · Alprazolam Impurity 3 · Alprazolam Impurity 8 · Alprazolam Impurity 14 · 2'-BENZOYL-2,4'-DICHLOROACETANILIDE
Identifikatoren & physikalische Daten
| CAS No. | 4016-85-7 |
|---|---|
| Summenformel | C15H11Cl2NO2 |
| Durchschnittliche Molmasse | 308,2 g/mol |
| Monoisotopische Masse | 307,016684 g/mol |
| SMILES | O=C(CCl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 |
| InChIKey | HDXLZRWEZZFDKA-UHFFFAOYSA-N |
| PubChem CID | 77635 |
| EC No. | 223-678-1 |
| DTXSID | DTXSID00193168 |
| Lokaler Name | N-(2-Benzoyl-4-chlorphenyl)-2-chloracetamid |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 356 |
| Schmelzpunkt | 119-123 °C(lit.) |
| Siedepunkt | 537.2±50.0 °C(Predicted) |
| Dichte | 1.375 |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 11.44±0.70(Predicted) |
| Farbe | White to Off-White |
| InChI | 1S/C15H11Cl2NO2/c16-9-14(19)18-13-7-6-11(17)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) |
| InChIKey | HDXLZRWEZZFDKA-UHFFFAOYSA-N |
| SMILES | ClCC(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2 |
| CAS Datenbank | 4016-85-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1759 8/PG 3 |
| Zollcode | 2924190090 |
| RTECS-Nr. | AB4542650 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrenklasse | Skin Corr. 1B |
Anwendungen & Verwendung
Verwenden
Intermediate in the preparation of Alprazolam impurities.