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Ethyl-(triphenylphosphoranyliden)acetat
(CARBETHOXYMETHYLENE)TRIPHENYLPHOSPHORANE · CEMTPP · (triphenylphosphoranylidene)acetate · (ETHOXYCARBONYLMETHYLENE)TRIPHENYLPHOSPHORANE · Ethoxyformylmethylene triphenylphosphine · (CARBOETHOXYMETHYLENE)TRIPHENYLPHOSPHORANE · EMY · NSC 72406
Identifikatoren & physikalische Daten
| CAS No. | 1099-45-2 |
|---|---|
| Summenformel | C22H21O2P |
| Durchschnittliche Molmasse | 348,4 g/mol |
| Monoisotopische Masse | 348,12791654 g/mol |
| SMILES | CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChIKey | IIHPVYJPDKJYOU-UHFFFAOYSA-N |
| PubChem CID | 70670 |
| EC No. | 214-151-7 |
| DTXSID | DTXSID7061485 |
| Lokaler Name | Ethyl-(triphenylphosphoranyliden)acetat |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 414 |
| Stoffklassen | Other Classes -> Phosphorus Compounds |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Beige crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 128-130 °C (lit.) |
| Siedepunkt | 490.4±28.0 °C(Predicted) |
| Dichte | 1.086 g/cm3 |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, THFInsoluble |
| Aggregatzustand | Powder |
| Farbe | White to light yellow |
| BRN | 754639 |
| InChI | InChI=1S/C22H21O2P/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3 |
| InChIKey | IIHPVYJPDKJYOU-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| CAS Datenbank | 1099-45-2(CAS DataBase Reference) |
| EPA chemische Informationen | Acetic acid, (triphenylphosphoranylidene)-, ethyl ester (1099-45-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.DangerH300 (20%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See Triphenylphosphine oxide. |
| Hazard Classes and Categories | Acute Tox. 2 (20%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN2811 |
| Zollcode | 29310095 |
| R-Sätze (R) | 36/37/38-25-20/21/22 |
| Gefahrensymbole | T,Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-45-37/39-26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
A common Wittig reagent. A cholinesterase inhibitor.