HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-(5-Chlor-2-methylphenyl)acetamid
5-Chloro-o-acetotoluidide · 4-CHLORO-2-ACETAMINOTOLUENE · 2-Acetamino-4-chlorotoluene · 5'-CHLORO-2'-METHYLACETANILIDE · N-(5-CHLORO-2-METHYLPHENYL)ACETAMIDE · Acetamide, N-(5-chloro-2-methylphenyl)- · N-(phenylmethyl)-N'-(pyridin-4-ylmethyl)oxamide
Identifikatoren & physikalische Daten
| CAS No. | 5900-55-0 |
|---|---|
| Summenformel | C9H10ClNO |
| Durchschnittliche Molmasse | 183,63 g/mol |
| Monoisotopische Masse | 183,04509162 g/mol |
| SMILES | CC(=O)Nc1cc(Cl)ccc1C |
| InChIKey | AQHVWJACZZWZPW-UHFFFAOYSA-N |
| PubChem CID | 80000 |
| EC No. | 227-592-5 |
| DTXSID | DTXSID30207742 |
| Lokaler Name | N-(5-Chlor-2-methylphenyl)acetamid |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 172 |
| LogP (Verteilungskoeffizient) | 1.85 |
| Schmelzpunkt | 129-130 °C |
| Siedepunkt | 319.6±30.0 °C(Predicted) |
| Dichte | 1.218±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 14.46±0.70(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Achtung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
5-Chloro-o-acetotoluidide, is an intermediate for the synthesis of Metolazone (M338750), which is a diruetic and an antihypertensive.