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1,1'-Binaphthyl-2,2'-diol
(R)-BINOL · (R)-1,1'-BI-2-NAPHTHOL · (R,S)-BINOL · (R)-(+)-BINOL · 1,1'-BINAPHTHYL-2,2'-DIOL · (S)-[1,1'-BINAPHTHALENE]-2,2'-DIOL · (R)-[1,1'-Binaphthalene]-2,2'-diol · (+)-BINOL
Identifikatoren & physikalische Daten
| CAS No. | 18531-94-7 |
|---|---|
| Summenformel | C20H14O2 |
| Durchschnittliche Molmasse | 286,3 g/mol |
| Monoisotopische Masse | 286,09937969 g/mol |
| SMILES | Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |
| InChIKey | PPTXVXKCQZKFBN-UHFFFAOYSA-N |
| PubChem CID | 11762 |
| ChEMBL | CHEMBL138718 |
| ChEBI | CHEBI:189881 |
| EC No. | 210-014-0 |
| DTXSID | DTXSID9060526 |
Chemische & physikalische Eigenschaften
| XLogP | 5,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 346 |
| Schmelzpunkt | 215-218 °C |
| Siedepunkt | 388.69°C (rough estimate) |
| Dichte | 1.301 |
| Brechungsindex | 36.0 ° (C=1, THF) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | dioxane: 50 mg/mL, clearInsoluble in water. Solubility in THF within almost transparency). Soluble in dioxane 50 mg/mL. |
| pKa (Säurekonstante) | 8.29±0.50(Predicted) |
| Aggregatzustand | Powder |
| Farbe | white to off-white |
| Merck | 14,1226 |
| BRN | 3616837 |
| InChI | 1S/C20H14O2/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/h1-12,21-22H |
| InChIKey | PPTXVXKCQZKFBN-UHFFFAOYSA-N |
| SMILES | Oc1ccc2ccccc2c1-c3c(O)ccc4ccccc34 |
| CAS Datenbank | 18531-94-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (96.2%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301 (90%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 13-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7895Status: Active Update: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25133Status: Active Update: 11-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/300881,1'-Binaphthyl-2,2'-diol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (90%)Acute Tox. 3 (92%)Acute Tox. 3 (96.2%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29071590 |
| RTECS-Nr. | DU3106100 |
| R-Sätze (R) | 25-36-36/37/38 |
| Toxizität | LD50 orally in Rabbit: 113 mg/kg |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 26-45-24/25-36 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Chiral binapthol imminium salt precursor. Salts were used for an asymmetric epoxidation of olefins.