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6-Nitroveratrumylalkohol
4,5- dimethoxy-2-nitro benzyl alchohol · (4,5-Dimethoxy-2-nitro-phenyl)-methanol · TIMTEC-BB SBB009964 · RARECHEM AL BD 0187 · LABOTEST-BB LT00847721 · 6-NITROVERATRYL ALCOHOL · 4,5-Dimethoxy-2-nitrobenzyL · 6-NITROVERATRYL ALCOHOL 98+%
Identifikatoren & physikalische Daten
| CAS No. | 1016-58-6 |
|---|---|
| Summenformel | C9H11NO5 |
| Durchschnittliche Molmasse | 213,19 g/mol |
| Monoisotopische Masse | 213,06372245 g/mol |
| SMILES | COc1cc(CO)c([N+](=O)[O-])cc1OC |
| InChIKey | WBSCOJBVYHQOFB-UHFFFAOYSA-N |
| PubChem CID | 66097 |
| EC No. | 213-806-4 |
| DTXSID | DTXSID50144044 |
| Lokaler Name | 6-Nitroveratrumylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 84,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 217 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| Physical Description | Beige powder[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 145-148 °C (lit.) |
| Siedepunkt | 383.9±37.0 °C(Predicted) |
| Dichte | 1.307±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 13.59±0.10(Predicted) |
| Farbe | White to Yellow to Green |
| Löslichkeit | Soluble in water. |
| BRN | 1880093 |
| InChI | 1S/C9H11NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-4,11H,5H2,1-2H3 |
| InChIKey | WBSCOJBVYHQOFB-UHFFFAOYSA-N |
| SMILES | COc1cc(CO)c(cc1OC)[N+]([O-])=O |
| CAS Datenbank | 1016-58-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
|---|---|
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29094990 |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4,5-Dimethoxy-2-nitrobenzyl alcohol, is used as Reagent for the protection of alcohols, etc., as ethers which can be cleaved by photolysis involving intramolecular rearrangement to derivatives of o-nitrosobenzaldehyde, which are readily cleaved by hydrolysis. It is also used as photochemical protecting groups in organic synthesis. It is also used as a pharmaceutical intermediate.