HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(Triphenylphosphoranylidene)acetonitrile
2-(triphenyl-l5-phosphanylidene)acetonitrile · (CYANOMETHYLENE)TRIPHENYLPHOSPHORANE · (Triphenylphosphine)carbonitrile · (triphenylphosphine) acetonitrile · 2-(triphenylphosphoranylidene)acetonitrile · NSC 135204 · Triphenyl(cyanomethylene)phosphorane · Triphenylphosphoranylidenacetonitrile
Identifikatoren & physikalische Daten
| CAS No. | 16640-68-9 |
|---|---|
| Summenformel | C20H16NP |
| Durchschnittliche Molmasse | 301,3 g/mol |
| Monoisotopische Masse | 301,10203614 g/mol |
| SMILES | N#CC=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChIKey | APISVOVOJVZIBA-UHFFFAOYSA-N |
| PubChem CID | 85524 |
| EC No. | 240-689-7 |
| DTXSID | DTXSID60168099 |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 387 |
| Schmelzpunkt | 189-195 °C (lit.) |
| Siedepunkt | 465.3±28.0 °C(Predicted) |
| Dichte | 1.16±0.1 g/cm3(Predicted) |
| Flammpunkt | >110°C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| InChI | InChI=1S/C20H16NP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H |
| InChIKey | APISVOVOJVZIBA-UHFFFAOYSA-N |
| SMILES | C(#N)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
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 43 reports by companies from 6 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 | UN 2811 6.1/PG III |
| Zollcode | 29319090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
(Triphenylphosphoranylidene)acetonitrile is a reactant in the synthesis of largazole analogues which displays potent cell growth inhibition and cytotoxicity. As well, is used in the synthesis of monoterpene derivatives against leukemia.