HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Brompropiononitril
3-Bromopropanenitrile · 3-bromo-Propanenitrile · usafdo-51 · USAF do-51 · 2-bromoethylcyanide · 2-cyanoethylbromide · 3-Bromoethyleyanide · β-Bromopropionitrile
Identifikatoren & physikalische Daten
| CAS No. | 2417-90-5 |
|---|---|
| Summenformel | C3H4BrN |
| Durchschnittliche Molmasse | 133,97 g/mol |
| Monoisotopische Masse | 132,95271 g/mol |
| SMILES | N#CCCBr |
| InChIKey | CQZIEDXCLQOOEH-UHFFFAOYSA-N |
| PubChem CID | 17020 |
| EC No. | 219-332-4 |
| DTXSID | DTXSID0062397 |
| Lokaler Name | 3-Brompropiononitril |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 51 |
| Siedepunkt | 76-78 °C10 mm Hg(lit.) |
| Dichte | 1.615 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.481(lit.) |
| Flammpunkt | 207 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Soluble in ethanol, ether. |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| BRN | 1738565 |
| InChI | InChI=1S/C3H4BrN/c4-2-1-3-5/h1-2H2 |
| InChIKey | CQZIEDXCLQOOEH-UHFFFAOYSA-N |
| SMILES | C(#N)CCBr |
| CAS Datenbank | 2417-90-5(CAS DataBase Reference) |
| EPA chemische Informationen | Propanenitrile, 3-bromo- (2417-90-5) |
Sicherheit & Vorschriften
| F | 8 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3276 6.1/PG 2 |
| Zollcode | 29269090 |
| RTECS-Nr. | UG1050000 |
| R-Sätze (R) | 23/24/25-36/37/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36/37-45 |
| Gefahrenklasse | 6.1Acute Tox. 2 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Bromopropionitrile was used as the initiator in the atom transfer radical polymerization of acrylonitrile. It was used in coupling reactions of a number of aromatic and heteroaromatic phenols with alkyl, acyl or benzoyl halides in acetonitrile with cesium fluoride-Celite.