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N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine
Ishikawa · Ishikawa Reagent · N,N-Diethyl-1,1,2,3,3,3-hexafluoropropan-1-amine · ISHI · MEC-81 · Ishikawas · UNII:N4Y8BIM7UD · SHIKAWA'S REAGENT
Identifikatoren & physikalische Daten
| CAS No. | 309-88-6 |
|---|---|
| Summenformel | C7H11F6N |
| Durchschnittliche Molmasse | 223,16 g/mol |
| Monoisotopische Masse | 223,07956867 g/mol |
| SMILES | CCN(CC)C(F)(F)C(F)C(F)(F)F |
| InChIKey | BNTFCVMJHBNJAR-UHFFFAOYSA-N |
| PubChem CID | 136149 |
| EC No. | 628-698-8 |
| DTXSID | DTXSID20880124 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 3,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 174 |
| PFAS | PFAS -> Other/unspecifiedPFAS -> OECD Category |
| Siedepunkt | 56-57 °C (lit.) |
| Dichte | 1.230 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.3460 |
| Flammpunkt | 56-57°C/58mm |
| Lagerbedingungen | Flammables area |
| Löslichkeit | soluble in Acetone,Ether |
| pKa (Säurekonstante) | 1.50±0.70(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| Wichte | 1.230 |
| Merck | 14,5108 |
| InChI | 1S/C7H11F6N/c1-3-14(4-2)7(12,13)5(8)6(9,10)11/h5H,3-4H2,1-2H3 |
| InChIKey | BNTFCVMJHBNJAR-UHFFFAOYSA-N |
| SMILES | CCN(CC)C(F)(F)C(F)C(F)(F)F |
| CAS Datenbank | 309-88-6(CAS DataBase Reference) |
| EPA chemische Informationen | N,N-Diethyl-2H-perfluoropropanamine (309-88-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (89.6%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (89.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3267 |
| Zollcode | 29211999 |
| R-Sätze (R) | 10-34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
| Gefahrenklasse | 8Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Demonstrates utility in fluorination.7