HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(2-Chloroacetamido)-5-nitro-2'-chlorobenzophenone
2-Chloroacetylamido-5-nitro-2`-chlorobenzophenone · Clonazepam Impurity 3 · Clonazepam Impurity 1 · Clonazepam Impurity 9 · Clonazepam Impurity 14 · 2-(2-Chloroacetamido)-2'-chloro-5-nitrobenzophenone · 2-(2-chloroacetamido)-5-nitro-2'-chlorobenzophenone · Acetamide, 2-chloro-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-
Identifikatoren & physikalische Daten
| CAS No. | 180854-85-7 |
|---|---|
| Summenformel | C15H10Cl2N2O4 |
| Durchschnittliche Molmasse | 353,2 g/mol |
| Monoisotopische Masse | 352,0017622 g/mol |
| SMILES | O=C(CCl)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl |
| InChIKey | YBAJRIMWOFPRTG-UHFFFAOYSA-N |
| PubChem CID | 12782825 |
| DTXSID | DTXSID90509759 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 92 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 469 |
| Siedepunkt | 607.8±55.0 °C(Predicted) |
| Dichte | 1.497±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Acetonitrile (Slightly), DMSO (Heated), Methanol (Slightly, Heated) |
| pKa (Säurekonstante) | 10.96±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Pale Yellow |
| InChI | InChI=1S/C15H10Cl2N2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20) |
| InChIKey | YBAJRIMWOFPRTG-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=C([N+]([O-])=O)C=C1C(=O)C1=CC=CC=C1Cl)(=O)CCl |
Sicherheit & Vorschriften
| Zollcode | 29223990 |
|---|
Anwendungen & Verwendung
Verwenden
2-Chloro-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide is a reactant in the synthesis of Clonazepam (C587080) which is an antiepileptic agent with anxiolytic and antimanic properties.