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1,1'-Ferrocendicarbonsure
Ferrocene dicarboxylic acid · DK7513 · 1,1'-Dicarboxyferrocene · 1,1'-FerrocenedicarboxyL · 1,1′-Biscarboxylferrocene · Ferrocene, 1,1'-dicarboxy- · 1,1'-FERROCENDICARBONSAEURE · 1,1'- twocarboxyltwoferrocene
Identifikatoren & physikalische Daten
| CAS No. | 1293-87-4 |
|---|---|
| Summenformel | C12H10FeO4 |
| Durchschnittliche Molmasse | 274,05 g/mol |
| Monoisotopische Masse | 273,992844 g/mol |
| SMILES | O=C(O)c1ccc[cH-]1.O=C(O)c1ccc[cH-]1.[Fe+2] |
| InChIKey | LDSUEKXPKCHROT-UHFFFAOYSA-N |
| PubChem CID | 228209 |
| EC No. | 215-068-9 |
| Lokaler Name | 1,1'-Ferrocendicarbonsure |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 74,6 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 229 |
| Stoffklassen | Metals -> Metals, Organic Compounds |
| Physical Description | Dark brown powder[Aldrich MSDS] Slight solubility in water[Alfa Aesar MSDS] |
| Schmelzpunkt | ≥300 °C(lit.) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO, Ethyl Acetate (Very Slightly, Heated, Sonicated)Insoluble |
| Aggregatzustand | crystal |
| Farbe | orange |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| InChI | InChI=1S/2C6H5O2.Fe/c2*7-6(8)5-3-1-2-4-5/h2*1-4H,(H,7,8) |
| InChIKey | ISVVAJYTLASNEJ-UHFFFAOYSA-N |
| SMILES | [C]1([CH][CH][CH][CH]1)C(=O)O.[C]1([CH][CH][CH][CH]1)C(=O)O.[Fe] |^1:0,1,2,3,4,8,9,10,11,12| |
| CAS Datenbank | 1293-87-4 |
| NIST chemische Informationen | 1,1'-Ferrocenedicarboxylic acid(1293-87-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29319090 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 13 - Non Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Reactant for preparation of:Planar chiral ferrocene-based amido-phosphine ligands as catalysts for asymmetric allylic alkylation reactionsPotential antitumor agentsIsostructural ferrocenyl coordination polymer hollow microspheres with H2 storage propertiesPrganometallic aromatic polyestersManganese-lanthanide-ferrocene clusters