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Diphenylethynylcarbinol
1,1-Diphenylprop-2-Yn-1-ol · TIMTEC-BB SBB008737 · Diphenylethinylcarbinol · 1,1-diphenyl-2-propyn-1-o · Diphenyl ethynyl carbinol · 1,1-DIPHENYL-2-PROPYN-l-OL · 1,1-Diphenyl-2-propyn-1-ol · 1,1-Diphenyl-2-propyne-1-ol
Identifikatoren & physikalische Daten
| CAS No. | 3923-52-2 |
|---|---|
| Summenformel | C15H12O |
| Durchschnittliche Molmasse | 208,25 g/mol |
| Monoisotopische Masse | 208,088815 g/mol |
| SMILES | C#CC(O)(c1ccccc1)c1ccccc1 |
| InChIKey | SMCLTAARQYTXLW-UHFFFAOYSA-N |
| PubChem CID | 92976 |
| ChEMBL | CHEMBL3933877 |
| EC No. | 629-508-6 |
| DTXSID | DTXSID3021697 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 242 |
| Schmelzpunkt | 47-49 °C (lit.) |
| Siedepunkt | 183 °C/20 mmHg (lit.) |
| Dichte | 1.0459 (rough estimate) |
| Brechungsindex | 1.5361 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Powder or Crystals |
| pKa (Säurekonstante) | 11.58±0.29(Predicted) |
| Farbe | White to pale yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 514549 |
| InChI | InChI=1S/C15H12O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H |
| InChIKey | SMCLTAARQYTXLW-UHFFFAOYSA-N |
| SMILES | C(O)(C#C)(C1C=CC=CC=1)C1=CC=CC=C1 |
| CAS Datenbank | 3923-52-2(CAS DataBase Reference) |
| EPA chemische Informationen | 1,1-Diphenyl-2-propyn-1-ol (3923-52-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.3% (1 of 79) of reports.WarningH315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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 79 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98.7%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062900 |
| RTECS-Nr. | DA4796050 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,1-Diphenyl-2-propyn-1-ol is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is used in medicine.