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2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate
(Z)-N-(2-Chloro-3-(diMethylaMino)allylidene)-N-MethylMethanaMiniuM hexafluorophosphate(V) · Vinamidinium hexaflurophophate · (Z)-N-[2-Chloro-3-(diMethylaMino)allylidene]-N-MethylMethanaMiniuM Hexafluorophosphate · Hexaflurophosphate · Etoricoxib Intermediate 4 · hexafluoro-λ5-phosphanuide · 2-Chloro-1,3- Bis(Dimethylamino)Trime · 291756-76-8
Identifikatoren & physikalische Daten
| CAS No. | 249561-98-6 |
|---|---|
| Summenformel | C7H14ClF6N2P |
| Durchschnittliche Molmasse | 306,62 g/mol |
| SMILES | CN(C)/C=C(\Cl)C=[N+](C)C.F[P-](F)(F)(F)(F)F |
| InChIKey | PIUHAULDXSPPQV-UHFFFAOYSA-N |
| PubChem CID | 10590807 |
| EC No. | 619-785-1 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 6,3 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 201 |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | solid |
| Farbe | Off-white |
| InChI | InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)41-7(2,3,4,5)6/h5-6H,1-4H3/q+1 |
| InChIKey | PIUHAULDXSPPQV-UHFFFAOYSA-N |
| SMILES | C(/Cl)(=C\N(C)C)\C=[N+](\C)/C.[P-](F)(F)(F)(F)(F)F |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 23-05-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/8000 |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-CHLORO-1,3-DIMETHYLAMINO TRIMETHINIUM HEXAFLUOROPHOSPHATE is an impurity in the synthesis of Etoricoxib (E934100), a specific inhibitor of COX-2. It is also used in the synthesis of selective GlyT1 inhibitors.