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Triphenylethylen
1,1,2-TRIPHENYLETHYLENE · Ethene-1,1,2-triyltribenzene · Triphenylethene · 1,2,2-Triphenylethylene · AURORA KA-6581 · α-phenylstilbene · TRIPHENYLETHYLENE · triphenyl-ethylen
Identifikatoren & physikalische Daten
| CAS No. | 58-72-0 |
|---|---|
| Summenformel | C20H16 |
| Durchschnittliche Molmasse | 256,3 g/mol |
| Monoisotopische Masse | 256,12520051 g/mol |
| SMILES | C(=C(c1ccccc1)c1ccccc1)c1ccccc1 |
| InChIKey | MKYQPGPNVYRMHI-UHFFFAOYSA-N |
| PubChem CID | 6025 |
| ChEMBL | CHEMBL3115201 |
| ChEBI | CHEBI:35034 |
| EC No. | 200-395-1 |
| DTXSID | DTXSID3022320 |
| Lokaler Name | Triphenylethylen |
Chemische & physikalische Eigenschaften
| XLogP | 6,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 276 |
| Stoffklassen | Other Classes -> Aromatic Hydrocarbons |
| SpringerMaterials Properties | Boiling point |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | White crystalline solid[Sigma-Aldrich MSDS] |
| Collision Cross Section | 153.5 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3022320] |
| Schmelzpunkt | 69-71 °C (lit.) |
| Siedepunkt | 219-221°C 14mm |
| Dichte | 1.0373 |
| Brechungsindex | 1.6292 |
| Flammpunkt | 219-221°C/14mm |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | powder |
| Farbe | White |
| BRN | 1867462 |
| InChI | InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H |
| InChIKey | MKYQPGPNVYRMHI-UHFFFAOYSA-N |
| SMILES | C(/C1=CC=CC=C1)=C(\C1=CC=CC=C1)/C1=CC=CC=C1 |
| CAS Datenbank | 58-72-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-(58-72-0) |
| EPA chemische Informationen | Triphenylethylene (58-72-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritantHarmful by ingestionMay cause allergic reactions in sensitive individuals, based on QSAR modelingReproductive effects observed in experimental animals[Sigma-Aldrich MSDS] See Triphenylmethane. See 1,1-Diphenylethylene and 1,2-Diphenylethylene. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9 / PGIII |
| Zollcode | 29029080 |
| RTECS-Nr. | KX4920000 |
| R-Sätze (R) | 22-36-50/53 |
| Gefahrensymbole | Xn,N,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37-60-61 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Triphenylethylene is used in preparation of Esterase activated aggregation-induced luminescent anticancer prodrug.