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Chlormethylacetat
3-chloropropanoate · SKL404 · CHLOROMETHYL ACETATE · CHLOROMETHANOLACETATE · chloromethyl ethanoate · Acetic acid chloromethyl · Methanol, chloro-, acetate · Methanol, 1-chloro-,1-acetate
Identifikatoren & physikalische Daten
| CAS No. | 625-56-9 |
|---|---|
| Summenformel | C3H5ClO2 |
| Durchschnittliche Molmasse | 108,52 g/mol |
| Monoisotopische Masse | 107,99780708 g/mol |
| SMILES | CC(=O)OCCl |
| InChIKey | SMJYMSAPPGLBAR-UHFFFAOYSA-N |
| PubChem CID | 69366 |
| EC No. | 210-902-8 |
| DTXSID | DTXSID10211544 |
| Lokaler Name | Chlormethylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 52,8 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Siedepunkt | 122.85°C (rough estimate) |
| Dichte | 1.1940 |
| Brechungsindex | 1.4090 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform, DMSO, Ethyl Acetate |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless |
| Stabilität | Hygroscopic |
| NIST chemische Informationen | Methanol, chloro-, acetate(625-56-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (95.3%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (95.3%) |
| UN-Transportnummer | UN 2811 6.1 / PGIII |
| R-Sätze (R) | 41 |
| Sicherheitshinweise (S) | 26-39 |
Anwendungen & Verwendung
Verwenden
Chloromethyl Acetate is a chemical reagent used in the synthesis of Ganciclovir (G235000) and related analogs. Ganciclovir is used as an anti-viral medication used primarily to combat herpes simplex virus 1.