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Ethyltriphenylphosphoniumiodid
ETPPI · EPJ · [Ph3EP]I · Hishicolin ETPPI · Ethyl triphenyle · Triphenylethyl iodide · phenylphosphoniumethyliodide · ethyltriphenylphosphine iodide
Identifikatoren & physikalische Daten
| CAS No. | 4736-60-1 |
|---|---|
| Summenformel | C20H20P.I |
| Durchschnittliche Molmasse | 418,2 g/mol |
| Monoisotopische Masse | 418,03473527 g/mol |
| SMILES | CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-] |
| InChIKey | SLAFUPJSGFVWPP-UHFFFAOYSA-M |
| PubChem CID | 78474 |
| EC No. | 225-245-2 |
| DTXSID | DTXSID1052117 |
| Lokaler Name | Ethyltriphenylphosphoniumiodid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 0 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 247 |
| Physical Description | Dry Powder |
| Schmelzpunkt | 164-168 °C(lit.) |
| Siedepunkt | 337 °C |
| Dichte | 1.500 |
| Dampfdruck | 0Pa at 25℃ |
| Flammpunkt | 226 °C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Acetone, Chloroform, Dichloromethane, Methanolslightly soluble |
| Aggregatzustand | Powder |
| Farbe | Yellow |
| BRN | 3659323 |
| InChI | 1S/C20H20P.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H31H/q+1/p-1 |
| InChIKey | SLAFUPJSGFVWPP-UHFFFAOYSA-M |
| SMILES | [I-].CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3 |
| LogP (Verteilungskoeffizient) | 0.324 |
| CAS Datenbank | 4736-60-1(CAS DataBase Reference) |
| EPA chemische Informationen | Phosphonium, ethyltriphenyl-, iodide (4736-60-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.3% (5 of 381) of reports.DangerH300 (26.8%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 381 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phosphonium, ethyltriphenyl-, iodidePhosphonium, ethyltriphenyl-, iodide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonium, ethyltriphenyl-, iodide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 04-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21537Ethyltriphenylphosphonium iodide: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 2 (26.8%) |
| F | 3-8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29310095 |
| RTECS-Nr. | TA2312000 |
| R-Sätze (R) | 25-36/38-21-36/37/38-20/21/22 |
| Gefahrensymbole | T,Xn |
| Sicherheitshinweise (S) | 45-36/37/39-28A-26-36 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Ethyltriphenylphosphonium iodide is used as a Wittig reagent and phase transfer catalyst in organic synthesis. It can also be used in asymmetric hydrogenation and to make Bismuth(III) polynuclear complexes.