HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethyl-2-cyanpropionat
ETHYL 2-CYANOPROPIONATE · Ethyl 2-cyanopropanoate · Ethyl 2-Cyanopropionate >2-Cyanopropionic acid ethyl · Cyanopropionicacidethylester · 2-CYANOPROPIONIC ACID ETHYL ESTER · 2-Cyanopropanoic acid ethyl ester · Propanoic acid, 2-cyano-, ethyl ester · 2-CYANOPROPIONIC ACID ETHYL ESTER 95+%
Identifikatoren & physikalische Daten
| CAS No. | 1572-99-2 |
|---|---|
| Summenformel | C6H9NO2 |
| Durchschnittliche Molmasse | 127,14 g/mol |
| Monoisotopische Masse | 127,06332853 g/mol |
| SMILES | CCOC(=O)C(C)C#N |
| InChIKey | MIHRVXYXORIINI-UHFFFAOYSA-N |
| PubChem CID | 98018 |
| ChEBI | CHEBI:51925 |
| EC No. | 216-393-9 |
| DTXSID | DTXSID401313963 |
| Lokaler Name | Ethyl-2-cyanpropionat |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 144 |
| Siedepunkt | 193 °C |
| Dichte | 1,01 g/cm3 |
| Brechungsindex | 1.4130-1.4150 |
| Flammpunkt | 96°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| InChI | InChI=1S/C6H9NO2/c1-3-9-6(8)5(2)4-7/h5H,3H2,1-2H3 |
| InChIKey | MIHRVXYXORIINI-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(C#N)C |
| CAS Datenbank | 1572-99-2 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Ethyl 2-cyanopropionate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| UN-Transportnummer | 3276 |
| Zollcode | 29159000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Sicherheitshinweise (S) | 23-36/37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | Ⅲ |
Anwendungen & Verwendung
Verwenden
Ethyl 2-Cyanopropanoate is a building block used in many organic reactions such as the preparation of highly substituted benzenes.