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1,1,2,2-Tetraphenylethan-1,2-diol
BENZOPINACOL · benzeneol · Benzpinacol · Benzopicole · BENZOPINACON · benzpinacone · benzopinacone · BENZOPINACOLE
Identifikatoren & physikalische Daten
| CAS No. | 464-72-2 |
|---|---|
| Summenformel | C26H22O2 |
| Durchschnittliche Molmasse | 366,4 g/mol |
| Monoisotopische Masse | 366,16197994 g/mol |
| SMILES | OC(c1ccccc1)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1 |
| InChIKey | MFEWNFVBWPABCX-UHFFFAOYSA-N |
| PubChem CID | 94766 |
| EC No. | 207-356-8 |
| DTXSID | DTXSID2060048 |
| Lokaler Name | 1,1,2,2-Tetraphenylethan-1,2-diol |
Chemische & physikalische Eigenschaften
| XLogP | 4,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 383 |
| Stoffklassen | Other Classes -> Other Aromatic Compounds |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Solid[Merck Index] White crystalline powder[Acros Organics MSDS] |
| Schmelzpunkt | 171-173 °C(lit.) |
| Siedepunkt | 457.21°C (rough estimate) |
| Dichte | 1.0629 (rough estimate) |
| Brechungsindex | 1.4875 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly, Sonicated), DMSO (Slightly, Heated, Sonicated)insoluble |
| Aggregatzustand | Powder or Crystals |
| pKa (Säurekonstante) | 12.78±0.29(Predicted) |
| Farbe | White to slightly yellow |
| Merck | 14,1100 |
| BRN | 2061947 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C26H22O2/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27-28H |
| InChIKey | MFEWNFVBWPABCX-UHFFFAOYSA-N |
| SMILES | OC(c1ccccc1)(c2ccccc2)C(O)(c3ccccc3)c4ccccc4 |
| CAS Datenbank | 464-72-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzopinacol(464-72-2) |
| EPA chemische Informationen | 1,2-Ethanediol, 1,1,2,2-tetraphenyl- (464-72-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 97.1% (66 of 68) of all reports.Not ClassifiedAggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 1,2-Ethanediol, 1,1,2,2-tetraphenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[Acros Organics MSDS] |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3077 |
| Zollcode | 29062900 |
| RTECS-Nr. | KI2750000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Gefahrenklasse | 9 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,1,2,2-Tetraphenylethane-1,2-diol can be used as a flame resistant resin.