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2,2'-Dibromo-1,1'-binaphthyl
2,2'-Dibromo-1,1'-binaphthalene · SKL192 · JACS-74866-28-7 · Binaphthalene dibromide · 2,2'-diboromo-binaphthyl · 2,2`-DibroMo-1,1`-Binaphtyl · 1,1'-Bi(2-bromonaphthalene) · 2,2'-Dibromo-1,1'-binapthyl
Identifikatoren & physikalische Daten
| CAS No. | 74866-28-7 |
|---|---|
| Summenformel | C20H12Br2 |
| Durchschnittliche Molmasse | 412,1 g/mol |
| Monoisotopische Masse | 409,93058 g/mol |
| SMILES | Brc1ccc2ccccc2c1-c1c(Br)ccc2ccccc12 |
| InChIKey | IJUDEFZBMMRSNM-UHFFFAOYSA-N |
| PubChem CID | 619909 |
| EC No. | 626-733-1 |
| DTXSID | DTXSID60347302 |
Chemische & physikalische Eigenschaften
| XLogP | 7,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 346 |
| Schmelzpunkt | 178-183 °C |
| Siedepunkt | 178-183°C |
| Dichte | 1.614±0.06 g/cm3(Predicted) |
| Flammpunkt | 178-183°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in TolueneSparingly Soluble in water. |
| Aggregatzustand | Powder |
| Farbe | white to off-white |
| InChI | 1S/C20H12Br2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H |
| InChIKey | IJUDEFZBMMRSNM-UHFFFAOYSA-N |
| SMILES | Brc1ccc2ccccc2c1-c3c(Br)ccc4ccccc34 |
| CAS Datenbank | 74866-28-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H413 (88.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (88.6%)Skin Irrit. 2 (11.4%)Eye Irrit. 2 (11.4%)Aquatic Chronic 4 (88.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2903.99.8001 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 4 |
Anwendungen & Verwendung
Verwenden
The synthesis of this class of compounds relies on the lithiation of racemic 2,2'-dibromo-1,1'-binaphthyl with t-BuLi followed by addition of Ph 2 PCl.