HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Diethyl (1-cyanoethyl)phosphonate
NSC 135193 · Diethyl (1-cyanoethyl)phosphonate · Diethyl P-(1-cyanoethyl)phosphonate · 2-(Diethoxyphosphinyl)propanenitrile · Diethyl (1-cyanoethyl)phosphonate 97% · 1-Cyanoethylphosphonic acid diethyl ester · Phosphonic acid, P-(1-cyanoethyl)-, diethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 29668-61-9 |
|---|---|
| Summenformel | C7H14NO3P |
| Durchschnittliche Molmasse | 191,16 g/mol |
| Monoisotopische Masse | 191,07112994 g/mol |
| SMILES | CCOP(=O)(OCC)C(C)C#N |
| InChIKey | UMLWEPGSWQNXQX-UHFFFAOYSA-N |
| PubChem CID | 282103 |
| EC No. | 626-587-9 |
| DTXSID | DTXSID20300175 |
Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 59,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 210 |
| Siedepunkt | 140-141 °C11 mm Hg(lit.) |
| Dichte | 1.085 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.432(lit.) |
| Flammpunkt | >230 °F |
| Aggregatzustand | liquid |
| InChI | 1S/C7H14NO3P/c1-4-10-12(9,11-5-2)7(3)6-8/h7H,4-5H2,1-3H3 |
| InChIKey | UMLWEPGSWQNXQX-UHFFFAOYSA-N |
| SMILES | CCOP(=O)(OCC)C(C)C#N |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2927 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1(a)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
NSC 135193 is an intermediate in the synthesis of 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile (C979545), a component of the crude extract resulting from studies on the antifungal activity of Citrullus colocynthis against various plant pathogenic fungi.Oligomeric product in thermal polymerization of acrylonitrile/styrene system.