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4-((4-Nitrophenyl)azo)anilin
4-(4-NITROPHENYLAZO)ANILINE · C.I. Disperse Orange 3 · CI 11005 · CellitonOrangeGR · Solvent Orange 9 · abcolorange2rnex. · DISPERSE ORANGE 3 · DISPERSEORANGENO3
Identifikatoren & physikalische Daten
| CAS No. | 730-40-5 |
|---|---|
| Summenformel | C12H10N4O2 |
| Durchschnittliche Molmasse | 242,23 g/mol |
| Monoisotopische Masse | 242,08037556 g/mol |
| SMILES | Nc1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1 |
| InChIKey | UNBOSJFEZZJZLR-UHFFFAOYSA-N |
| PubChem CID | 12896 |
| ChEMBL | CHEMBL5287885 |
| ChEBI | CHEBI:75648 |
| EC No. | 211-984-8 |
| DTXSID | DTXSID7061061 |
| Lokaler Name | 4-((4-Nitrophenyl)azo)anilin |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 96,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 300 |
| Kosmetika | Hair dyeing |
| LogP (Verteilungskoeffizient) | 2.37 |
| Schmelzpunkt | ~200 °C (dec.)(lit.) |
| Siedepunkt | 385.06°C (rough estimate) |
| Dichte | 1.2532 (rough estimate) |
| Brechungsindex | 1.6081 (estimate) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Very Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly)290.7ug/L(25 ºC) |
| pKa (Säurekonstante) | 2.78±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Red to dark brown |
| BRN | 1842907 |
| Henry-Konstante | 3.5×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Hauptanwendungen | cleaning productscosmeticsenvironmentalfood and beveragespersonal care |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| InChI | 1S/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2/b15-14+ |
| InChIKey | UNBOSJFEZZJZLR-CCEZHUSRSA-N |
| SMILES | Nc1ccc(cc1)\N=N\c2ccc(cc2)[N+]([O-])=O |
| CAS Datenbank | 730-40-5(CAS DataBase Reference) |
| EPA chemische Informationen | C.I. Disperse Orange 3 (730-40-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.6% (2 of 56) of reports.WarningH315 (76.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 4-[(4-nitrophenyl)azo]-Benzenamine, 4-(4-nitrophenyl)azo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - Azo Dyes that Cleave to Aromatic Amines of Potential Toxicological Concern: Human health tier II assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (76.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 32041100 |
| R-Sätze (R) | 36/37/38-43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Disperse orange 3 is an azo dye which can induce contact dermatitis in workers in the textile industry. Patch tests are frequently positive (about 30%) in hairdressers with a hand dermatitis. It is probably an indicator of contact sensitization to PPD, but disperse orange 3 can also be found in so me semipermanent hair dyes.
Verwenden
Disperse orange 3 is used as a dye in acetate, nylon, silk, wool, and cotton; stocking dye.
Herstellung & Synthese
synthetische
4-Nitrobenzenamine diazo, with aniline base armour sulfonic acid coupling, and sodium hydroxide solution to boil, then a sulfonic acid hydrolysis off base.