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Natriumchlordifluoracetat
Sodium 2-chloro-2,2-difluoroacetate · 2-chloro-2,2-difluoroacetate · SodiuM Difluorochloroacetate · CHLORODIFLUOROACETIC ACID SODIUM SALT · DIFLUOROCHLOROACETIC ACID SODIUM SALT · orodifL · Sodiumchlorodifluoride · Sodiumdifluorochlorate
Identifikatoren & physikalische Daten
| CAS No. | 1895-39-2 |
|---|---|
| Summenformel | C2ClF2NaO2 |
| Durchschnittliche Molmasse | 152,46 g/mol |
| Monoisotopische Masse | 151,94525764 g/mol |
| SMILES | O=C([O-])C(F)(F)Cl.[Na+] |
| InChIKey | MRTAVLDNYYEJHK-UHFFFAOYSA-M |
| PubChem CID | 2734985 |
| EC No. | 217-586-0 |
| DTXSID | DTXSID1062049 |
| Lokaler Name | Natriumchlordifluoracetat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 40,1 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 96 |
| Schmelzpunkt | 196-198 °C (lit.) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Soluble in dimethoxyethane, diglyme (0.60 g mL-1), triglyme, dimethyl formamide. |
| Aggregatzustand | Powder |
| Farbe | White to off-white |
| BRN | 4162363 |
| InChI | InChI=1S/C2HClF2O2.Na.H/c3-2(4,5)1(6)7/h(H,6,7) |
| InChIKey | MRTAVLDNYYEJHK-UHFFFAOYSA-M |
| SMILES | C(F)(F)(Cl)C(=O)O.[NaH] |
| CAS Datenbank | 1895-39-2(CAS DataBase Reference) |
| EPA chemische Informationen | Acetic acid, chlorodifluoro-, sodium salt (1895-39-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 82 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 13-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34354 |
| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29159080 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-24/25-36/37/39 |
| Gefahrenklasse | IRRITANT, HYGROSCOPICEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It is used as pharmaceutical intermediate. Reactions of aldehydes with triphenylphosphine and sodium chlorodifluoroacetate yield 1,1-difluoro olefins. It is a general reaction and a one step synthesis.