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N,N-Diethylaminoacetonitril
2-(Diethylamino)acetonitrile · N,N-Diethylcyanoacet · Trolamine Impurity 19 · DIETHYLAMINOACETONITRILE · N,N-DIETHYLCYANOACTAMIDE · n,n-diethyl-glycinonitril · N,N-DIETHYLGLYCINONITRILE · (diethylamino)-acetonitril
Identifikatoren & physikalische Daten
| CAS No. | 3010-02-4 |
|---|---|
| Summenformel | C6H12N2 |
| Durchschnittliche Molmasse | 112,17 g/mol |
| Monoisotopische Masse | 112,10004838 g/mol |
| SMILES | CCN(CC)CC#N |
| InChIKey | LVPZSMIBSMMLPI-UHFFFAOYSA-N |
| PubChem CID | 44983 |
| EC No. | 221-130-6 |
| DTXSID | DTXSID8062781 |
| Lokaler Name | N,N-Diethylaminoacetonitril |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 27 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 85,9 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 170 °C(lit.) |
| Dichte | 0.866 g/mL at 25 °C(lit.) |
| Dampfdruck | 760 mm Hg ( 170 °C) |
| Brechungsindex | n20/D 1.426(lit.) |
| Flammpunkt | 129 °F |
| Lagerbedingungen | Flammables area |
| pKa (Säurekonstante) | 6.59±0.25(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Löslichkeit | sol water and most common organic solvents. |
| LogP (Verteilungskoeffizient) | 0.48 at 25℃ |
| CAS Datenbank | 3010-02-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2-(Diethylamino)acetonitrile(3010-02-4) |
| EPA chemische Informationen | Acetonitrile, (diethylamino)- (3010-02-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P337+P317, P361+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 200 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: (diethylamino)acetonitrile (EC: 221-130-6) |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3275 6.1/PG 2 |
| Zollcode | 29269095 |
| RTECS-Nr. | AL8575000 |
| R-Sätze (R) | 10-23/24/25-41-36 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 16-26-36/37/39-45-38-28A |
| Gefahrenklasse | 3.2 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
N,N-Diethylaminoacetonitrile as a formyl anion and formaldehyde dianion equivalent; synthesis of α-amino nitriles, α-amino-β- hydroxy nitriles, aldehydes, ketones, and α,β-enals.
Herstellung & Synthese
synthetische
N,N-Diethylaminoacetonitrile is prepared from diethylamine, formaldehyde, sodium cyanide, and sodium disulfite.[1]