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2,2-Difluoroethanamine
2,2-difluoroethanaMine · uoroethyL · CF2HCH2NH2 · AKOS B028561 · 2,2-Difluoroamine · Difluoroethylamine · ART-CHEM-BB B028561 · TIMTEC-BB SBB009831
Identifikatoren & physikalische Daten
| CAS No. | 430-67-1 |
|---|---|
| Summenformel | C2H5F2N |
| Durchschnittliche Molmasse | 81,06 g/mol |
| Monoisotopische Masse | 81,0390056 g/mol |
| SMILES | NCC(F)F |
| InChIKey | OVRWUZYZECPJOB-UHFFFAOYSA-N |
| PubChem CID | 136274 |
| ChEMBL | CHEMBL1162281 |
| EC No. | 671-709-6 |
| DTXSID | DTXSID40195621 |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 21,6 |
| SpringerMaterials Properties | Coriolis coupling |
| Dissociation Constants | 7.3 |
| Siedepunkt | 67.5-68.5 |
| Dichte | 1,15 g/cm3 |
| Dampfdruck | 14-56kPa at 20-50℃ |
| Brechungsindex | 1.3410-1.3450 |
| pKa (Säurekonstante) | 7.09±0.30(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Yellow |
| InChI | InChI=1S/C2H5F2N/c3-2(4)1-5/h2H,1,5H2 |
| InChIKey | OVRWUZYZECPJOB-UHFFFAOYSA-N |
| SMILES | C(N)C(F)F |
| CAS Datenbank | 430-67-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (52.6%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 76 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-12-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/5753 |
| Hazard Classes and Categories | Met. Corr. 1 (52.6%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 2735 |
| Zollcode | 29211990 |
| R-Sätze (R) | 34-36/37 |
| Gefahrensymbole | C,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Met. Corr. 1STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,2-Difluoroethylamine (DFEA) is an ESI-compatible buffering reagent whose conjugate acid has a pKa of 7.2, providing buffering capacity at physiological pH[1]. 2,2-Difluoroethylamine serves as a nucleophile in Ni-catalyzed C–N cross-couplings with aryl electrophiles, including N-arylation of fluoroalkylamines and competition studies against other heteroatom-containing nucleophiles[2].