HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methylcarbamoylchlorid
Methylcarbamic chloride · n-methylaminoformyl chloride · N-Methylchloroformamide · METHYLCARBAMOYLCHLORIDE · methylamineylformylchloro · METHYLAMINOFORMYL CHLORIDE · Carbamic chloride, methyl- · N-Methylcarbamoyl chloride
Identifikatoren & physikalische Daten
| CAS No. | 6452-47-7 |
|---|---|
| Summenformel | C2H4ClNO |
| Durchschnittliche Molmasse | 93,51 g/mol |
| Monoisotopische Masse | 92,99814143 g/mol |
| SMILES | CNC(=O)Cl |
| InChIKey | GRRYSIXDUIAUGY-UHFFFAOYSA-N |
| PubChem CID | 80931 |
| EC No. | 229-253-7 |
| DTXSID | DTXSID60214787 |
| Lokaler Name | Methylcarbamoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 44,9 |
| Schmelzpunkt | 45°C |
| Siedepunkt | 93°C (dec.) |
| Dichte | 1.185±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Acetonitrile, Chloroform (Slightly), DMSO |
| pKa (Säurekonstante) | 10.67±0.46(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Stabilität | Air Sensitive, Hygroscopic, Moisture Sensitive, Volatile |
| InChI | InChI=1S/C2H4ClNO/c1-4-2(3)5/h1H3,(H,4,5) |
| InChIKey | GRRYSIXDUIAUGY-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)NC |
| CAS Datenbank | 6452-47-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
Methylcarbamoyl Chloride is used as a reagent in the synthesis of acylprolinamides as a new class of peptide deformylase inhibitors with in vivo antibacterial activity. Methylcarbamoyl Chloride is also used as a reagent in the synthesis of carbamate derivatives as potential dual-binding site acetylcholinesterase inhibitors.