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3,4,7,8-Tetramethyl-1,10-phenanthrolin
3,4,7,8-tmphen · TIMTEC-BB SBB008945 · 3,4,7,8-TetramethyL · 3,4,7,8-tetramethyl-1,10-filoline · 3,4,7,8-tetramethyl-10-phenanthroline · 3, 47.8-tetramethyl-1, 10-philoxoline · 3,4,7,8-Tetramethyl-1,1-phenanthroline · 3,4,7,8-TETRAMETHYL-1,10-PHENANTHROLINE
Identifikatoren & physikalische Daten
| CAS No. | 1660-93-1 |
|---|---|
| Summenformel | C16H16N2 |
| Durchschnittliche Molmasse | 236,31 g/mol |
| Monoisotopische Masse | 236,13134851 g/mol |
| SMILES | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C |
| InChIKey | NPAXPTHCUCUHPT-UHFFFAOYSA-N |
| PubChem CID | 74265 |
| ChEMBL | CHEMBL99384 |
| EC No. | 216-762-4 |
| DTXSID | DTXSID2061856 |
| Lokaler Name | 3,4,7,8-Tetramethyl-1,10-phenanthrolin |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 273 |
| Polymers | Other Classes -> Polycyclic Aromatic Hydrocarbons |
| Physical Description | White powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 277-280 °C(lit.) |
| Siedepunkt | 368.78°C (rough estimate) |
| Dichte | 1.0937 (rough estimate) |
| Brechungsindex | 1.5635 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in 1,4-dioxane, acetone, dichloromethane, N,N-dimethylformamide, N,N-dimethylacetamide, methanol and hot toluene.1.512mg/L(25.04 ºC) |
| pKa (Säurekonstante) | 6.37±0.10(Predicted) |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | Light beige |
| BRN | 171279 |
| InChI | InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3 |
| InChIKey | NPAXPTHCUCUHPT-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC=C3C=2N=CC(C)=C3C)C(C)=C(C)C=1 |
| CAS Datenbank | 1660-93-1(CAS DataBase Reference) |
| EPA chemische Informationen | 1,10-Phenanthroline, 3,4,7,8-tetramethyl- (1660-93-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38-20/21/22-40 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39-26-36-22-24/25 |
Anwendungen & Verwendung
Verwenden
3,4,7,8-Tetramethyl-1,10-phenanthroline is a metal-chelating agent.