Chlormethylpivalat
POM-CL · PIVALOYLOXYMETHYL CHLORIDE · Chloromethyl 2,2-dimethylpropanoate · CMPV · Adefovir Impurity 13 · hloromethyl pivalate · chloromethylepivalate · CHLOROMETHYL PIVALATE
Identifikatoren & physikalische Daten
| CAS No. | 18997-19-8 |
|---|---|
| Summenformel | C6H11ClO2 |
| Durchschnittliche Molmasse | 150,6 g/mol |
| Monoisotopische Masse | 150,04475727 g/mol |
| SMILES | CC(C)(C)C(=O)OCCl |
| InChIKey | GGRHYQCXXYLUTL-UHFFFAOYSA-N |
| PubChem CID | 87885 |
| EC No. | 242-735-1 |
| DTXSID | DTXSID1066445 |
| Lokaler Name | Chlormethylpivalat |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 104 |
| Stoffklassen | Toxic Gases & Vapors -> Other Toxic Gases & Vapors |
| Physical Description | Colorless to very faintly yellow clear liquid[Acros Organics MSDS] |
| Schmelzpunkt | <-40°C |
| Siedepunkt | 146-148 °C (lit.) |
| Dichte | 1.045 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.417(lit.) |
| Flammpunkt | 104 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Sparingly)Miscible with most organic solvents. Immiscible with water. |
| Aggregatzustand | Liquid |
| Wichte | 1.038 |
| Farbe | Clear colorless to slightly yellow |
| BRN | 1560838 |
| InChI | 1S/C6H11ClO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3 |
| InChIKey | GGRHYQCXXYLUTL-UHFFFAOYSA-N |
| SMILES | CC(C)(C)C(=O)OCCl |
| CAS Datenbank | 18997-19-8(CAS DataBase Reference) |
| NIST chemische Informationen | Propanoic acid, 2,2-dimethyl-, chloromethyl ester(18997-19-8) |
| EPA chemische Informationen | Propanoic acid, 2,2-dimethyl-, chloromethyl ester (18997-19-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 2,2-dimethyl-, chloromethyl esterStatus: Active Update: 22-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23716Propanoic acid, 2,2-dimethyl-, chloromethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Gefahrenübersicht | An irritant and lachrymatorMay cause CNS depression[Acros Organics MSDS] See Diphosgene and Chloromethyl methyl ether. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29159000 |
| R-Sätze (R) | 10-20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 16-26-36-41-36/37/39 |
| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Chloromethyl pivalate (CP) is an electrolyte solvent used in novel lithium-oxygen (Li-O2) batteries. As the structure of CP does not contain any α-H atoms, CP-based electrolytes exhibit excellent chemical stability in both superoxide radical solutions and the actual Li-O2 battery environment, effectively resisting the corrosive effects of superoxide radicals. Furthermore, even without the use of a catalyst in the cathode of the Li-O2 battery, the battery demonstrates high specific capacity and good cycling stability[6].
Verwenden
Chloromethyl pivalate was used in the synthesis of pivaloyloxy methyl ester of ofloxacin as prodrug. It was used as the reagent during the synthesis of an isoindoline-annulated, tricyclic sultam library via microwave-assisted, continuous-flow organic synthesis.