4-(4-Nitrophenylazo)resorcin
MAGNESON · MagnesonⅠ · MAGNESON I · AZO VIOLET · MagnesonIGr · MagnesonIiGr · p-diazviolet · MagnesonⅠ, AR
Identifikatoren & physikalische Daten
| CAS No. | 74-39-5 |
|---|---|
| Summenformel | C12H9N3O4 |
| Durchschnittliche Molmasse | 259,22 g/mol |
| Monoisotopische Masse | 259,05930578 g/mol |
| SMILES | O=[N+]([O-])c1ccc(N=Nc2ccc(O)cc2O)cc1 |
| InChIKey | NGPGYVQZGRJHFJ-UHFFFAOYSA-N |
| PubChem CID | 6320 |
| ChEMBL | CHEMBL1604790 |
| ChEBI | CHEBI:66930 |
| EC No. | 200-808-5 |
| DTXSID | DTXSID30861621 |
| Lokaler Name | 4-(4-Nitrophenylazo)resorcin |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 111 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 336 |
| Stoffklassen | Dyes -> Azo Dyes |
| Physical Description | A solid insoluble in water[Sax] |
| Schmelzpunkt | 195-200 °C (dec.)(lit.) |
| Siedepunkt | 402.47°C (rough estimate) |
| Dichte | 1.3450 (rough estimate) |
| Brechungsindex | 1.5700 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | 8.05±0.35(Predicted) |
| Farbe | Orange-red to red |
| Geruch | Odorless |
| Löslichkeit | Soluble in dilute sodium hydroxide. Insoluble in water. |
| Merck | 14,5695 |
| BRN | 674709 |
| Stabilität | Stable. Incompatible with strong oxidizing agents, strong bases. |
| Hauptanwendungen | diagnostic assay manufacturinghematologyhistology |
| InChI | 1S/C12H9N3O4/c16-10-5-6-11(12(17)7-10)14-13-8-1-3-9(4-2-8)15(18)19/h1-7,16-17H/b14-13+ |
| InChIKey | NGPGYVQZGRJHFJ-BUHFOSPRSA-N |
| SMILES | Oc1ccc(\N=N\c2ccc(cc2)[N+]([O-])=O)c(O)c1 |
| CAS Datenbank | 74-39-5(CAS DataBase Reference) |
| EPA chemische Informationen | 1,3-Benzenediol, 4-[(4-nitrophenyl)azo]- (74-39-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.3% (2 of 46) of reports.WarningH315 (95.7%): 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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause allergic contact dermatitisMay be toxic by ingestion[MSDSonline] See Disperse Red 1 (2872-52-8). |
| Hazard Classes and Categories | Skin Irrit. 2 (95.7%) |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29270000 |
| RTECS-Nr. | VH2810000 |
| R-Sätze (R) | 36/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Oxygen violet can be prepared by one-step reaction of p-nitroaniline and 1,3-benzenediol. Azo violet can be used to prepare an azobenzene photochromic liquid crystal compound. Photochromic liquid crystal compounds have both photochromic properties and liquid crystallinity, which has become a research hotspot in the field of information storage. Azobenzene-based liquid crystals are the most interesting photochromic liquid crystal materials in recent years due to their unique photoinduced cis-trans isomerism. Azobenzene compounds undergo reversible cis-trans isomerization under the action of light, which makes them have great potential applications in many aspects such as optical storage, photo-holography and optical information processing.
Verwenden
4-(4-Nitrophenyl)azoresorcinol is used for the detection of magnesium with which it yields a bright blue color in alkaline solution and it also used to determine molybdenum with which it forms a red-violet complex: Nikitina, Andrianova, C.A. 75, 136789v (1971).