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Triphenylphosphinoxid
TPO · TPPO · Ph3PO · TTPO · (C6H5)3P=O · Orlistat Related CoMpound C · Triphenylphosphinoxid · triphenylphosphane oxide
Identifikatoren & physikalische Daten
| CAS No. | 791-28-6 |
|---|---|
| Summenformel | C18H15OP |
| Durchschnittliche Molmasse | 278,3 g/mol |
| Monoisotopische Masse | 278,0860521 g/mol |
| SMILES | O=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChIKey | FIQMHBFVRAXMOP-UHFFFAOYSA-N |
| PubChem CID | 13097 |
| ChEMBL | CHEMBL482091 |
| ChEBI | CHEBI:36601 |
| EC No. | 212-338-8 |
| DTXSID | DTXSID2022121 |
| Lokaler Name | Triphenylphosphinoxid |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 281 |
| Physical Description | Solid[IUCLID] Beige crystalline solid[Aldrich MSDS] |
| Kovats Retention Index | 25612576 |
| Collision Cross Section | 162.9 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID2022121]163.0 Ų [M+H]+ [CCS Type: DTIonization: APCI+182.6 Ų [M+Na]+ [CCS Type: DT |
| Schmelzpunkt | 150-157 °C(lit.) |
| Siedepunkt | 360 °C |
| Dichte | 1,212 g/cm3 |
| Dampfdruck | <1 hPa (50 °C) |
| Flammpunkt | 180 °C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | methanol: 25 mg/mL, clearslightly soluble |
| Aggregatzustand | Crystalline Powder or Flakes |
| Wichte | 1.212 |
| Farbe | White to pink-brown |
| BRN | 745854 |
| Henry-Konstante | 1.9×104 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| Hauptanwendungen | pharmaceutical |
| InChI | 1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H |
| InChIKey | FIQMHBFVRAXMOP-UHFFFAOYSA-N |
| SMILES | O=P(c1ccccc1)(c2ccccc2)c3ccccc3 |
| LogP (Verteilungskoeffizient) | 2.8 |
| CAS Datenbank | 791-28-6(CAS DataBase Reference) |
| NIST chemische Informationen | (C6H5)3PO(791-28-6) |
| EPA chemische Informationen | Triphenylphosphine oxide (791-28-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2% (5 of 245) of reports.WarningH302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (18%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (18.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (18%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (96.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 245 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 5 of 245 reports by companies.There are 11 notifications provided by 240 of 245 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Phosphine oxide, triphenyl-Regulation (EC) No 1831/2003 (amended)Status: Active Update: 10-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25368Status: Active Update: 05-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17507Triphenylphosphine oxide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes convulsions, aggression, and dyspnea in oral lethal-dose studies of dogs (LD50 = 500 mg/kg)[RTECS] Causes liver injury in 3-month feeding study of dogs at 2,000 ppm[IUCLID] An irritantHarmful by ingestion |
Anwendungen & Verwendung
Beschreibung
Triphenylphosphine oxide (TPPO) is a coordinating solvent used to activate crystallization of chemical compounds. It has been used in flame retardant applications, as an epoxy cure catalyst, and more recently, to produce nanostructures.
Verwenden
Triphenylphosphine oxide is a phosphine ligand used for coupling reactions, epoxidations, and Michael reactions