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Benzil
DIBENZOYL · Diphenylethane-1,2-dione · 1,2-Diphenylethane-1,2-dione · β-diketone Diphenylethanedione · BenzilForSynthesis · 1,2-DIPHENYLETHANEDIONE · BENZIL · CHC-12
Identifikatoren & physikalische Daten
| CAS No. | 134-81-6 |
|---|---|
| Summenformel | C14H10O2 |
| Durchschnittliche Molmasse | 210,23 g/mol |
| Monoisotopische Masse | 210,06807956 g/mol |
| SMILES | O=C(C(=O)c1ccccc1)c1ccccc1 |
| InChIKey | WURBFLDFSFBTLW-UHFFFAOYSA-N |
| PubChem CID | 8651 |
| ChEMBL | CHEMBL189886 |
| ChEBI | CHEBI:51507 |
| EC No. | 205-157-0 |
| DTXSID | DTXSID3044380 |
| Lokaler Name | Benzil |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 230 |
| Stoffklassen | Other Classes -> Aromatic KetonesIndustrial compound |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 3.38 |
| Physical Description | Yellow solid[Merck Index] Yellow crystalline solid[Alfa Aesar MSDS] |
| Schmelzpunkt | 94-95 °C(lit.) |
| Siedepunkt | 346 °C |
| Dichte | 1,521 g/cm3 |
| Dampfdruck | 1 mm Hg ( 128.4 °C) |
| Brechungsindex | 1.5681 (estimate) |
| Flammpunkt | 346-348°C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | <0.5g/l0.5 g/L (20 ºC) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| Merck | 14,1078 |
| BRN | 608047 |
| Henry-Konstante | 3.0×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) |
| Dielektrizitätskonstante | 13.0(94℃) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H |
| InChIKey | WURBFLDFSFBTLW-UHFFFAOYSA-N |
| SMILES | O=C(c1ccccc1)C(=O)c2ccccc2 |
| CAS Datenbank | 134-81-6(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanedione, diphenyl-(134-81-6) |
| EPA chemische Informationen | Benzil (134-81-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.2% (1 of 593) of reports.WarningH315 (99.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 593 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanedione, diphenyl-Status: Active Update: 20-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28193Benzil: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A moderate eye irritantCauses somnolence in oral lethal-dose studies of mice[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See Acetophenone. |
| Hazard Classes and Categories | Skin Irrit. 2 (99.7%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29143900 |
| RTECS-Nr. | DD1925000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 orally in Rabbit: 2710 mg/kg |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
Benzil is used as a pharmaceutical intermediate and uv curing resin photosensitizer. In polymer chemistry, it is used as a photoinitiator. Further, it serves as a potent inhibitor of human carboxylesterases. It is used in the preparation of diketimines by reacting with amines. It is also involved in the famous benil-benzilic acid rearrangement. In addition this, it reacts with 1,3-diphenylacetone to get tetraphenylcyclopentadienone.