HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Triphenylessigsure
2,2,2-TRIPHENYLACETIC ACID · Triphenylacetate · TRITYLFORMIC ACID · TIMTEC-BB SBB008604 · TRIPHENYLACETIC ACID · Acetic acid, triphenyl- · Triphenylaceticacid,99% · Lactic Acid Impurity 57
Identifikatoren & physikalische Daten
| CAS No. | 595-91-5 |
|---|---|
| Summenformel | C20H16O2 |
| Durchschnittliche Molmasse | 288,3 g/mol |
| Monoisotopische Masse | 288,11502975 g/mol |
| SMILES | O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChIKey | DCYGAPKNVCQNOE-UHFFFAOYSA-N |
| PubChem CID | 68992 |
| ChEMBL | CHEMBL271207 |
| EC No. | 209-873-4 |
| DTXSID | DTXSID80208204 |
| Lokaler Name | Triphenylessigsure |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 312 |
| SpringerMaterials Properties | Crystal structure |
| Schmelzpunkt | 270-273 °C (lit.) |
| Siedepunkt | 390.57°C (rough estimate) |
| Dichte | 1.0992 (rough estimate) |
| Brechungsindex | 1.7580 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Fine Crystalline Powder |
| pKa (Säurekonstante) | pK1:3.96 (25°C) |
| Farbe | White to beige |
| InChI | InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22) |
| InChIKey | DCYGAPKNVCQNOE-UHFFFAOYSA-N |
| SMILES | C(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)C(=O)O |
| CAS Datenbank | 595-91-5(CAS DataBase Reference) |
| NIST chemische Informationen | Triphenylacetic acid(595-91-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | H413 (95.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Aquatic Chronic 4 (95.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163900 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANTAquatic Chronic 4 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,2,2-Triphenylacetic Acid is used in preparation of Rhodium(II) Tetramethyl-benzenedipropioate complex, other Carboxylate complexes, and their catalytic activity.