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2-[(2-Nitrophenyl)amino]ethanol
HC YELLOW 2 · HC YELLOW NO 2 · hc-yelow 2 · JAROCOL YELLOW 2 · 2-Nitro-N-hydroxyeth · Nitroanilino)Ethanol · Adrenaline Impurity 103 · 2-(2-Nitroanilino)Ethanol
![Molekülstruktur von 2-[(2-Nitrophenyl)amino]ethanol](/img/chemical/78637.png)
Identifikatoren & physikalische Daten
| CAS No. | 4926-55-0 |
|---|---|
| Summenformel | C8H10N2O3 |
| Durchschnittliche Molmasse | 182,18 g/mol |
| Monoisotopische Masse | 182,06914218 g/mol |
| SMILES | O=[N+]([O-])c1ccccc1NCCO |
| InChIKey | LFOUYKNCQNVIGI-UHFFFAOYSA-N |
| PubChem CID | 78637 |
| EC No. | 225-555-8 |
| DTXSID | DTXSID0063650 |
| Lokaler Name | 2-[(2-Nitrophenyl)amino]ethanol |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 78,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 169 |
| Kosmetika | Cosmetic ingredients (HC Yellow No. 2) -> CIR (Cosmetic Ingredient Review)Hair dyeing |
| Schmelzpunkt | 71-73°C |
| Siedepunkt | 376.6±22.0 °C(Predicted) |
| Dichte | 1.352±0.06 g/cm3(Predicted) |
| Dampfdruck | 0Pa at 20℃ |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)1.85g/L at 20℃ |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.60±0.10(Predicted) |
| Farbe | Dark Orange to Red |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| InChI | InChI=1S/C8H10N2O3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13/h1-4,9,11H,5-6H2 |
| InChIKey | LFOUYKNCQNVIGI-UHFFFAOYSA-N |
| SMILES | C(O)CNC1=CC=CC=C1[N+]([O-])=O |
| LogP (Verteilungskoeffizient) | 1.5 at 20℃ |
| CAS Datenbank | 4926-55-0(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanol, 2-[(2-nitrophenyl)amino]- (4926-55-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.2% (1 of 83) of reports.WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 83 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanol, 2-[(2-nitrophenyl)amino]-REACH registered substance: 2-[(2-nitrophenyl)amino]ethanol (EC: 225-555-8)Ethanol, 2-[(2-nitrophenyl)amino]-: 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 - Ethanol, 2-[(2-nitrophenyl)amino]-: Human health tier II assessment |
| Hazard Classes and Categories | Acute Tox. 4 (97.6%)Acute toxicity (ingestion) - category 4 |
| Toxizitätsübersicht | The CIR Expert Panel concludes that HC Yellow No. 2 is safe for use in hair dyes at concentrations up to 3%. The limitation on the concentration is based upon the available clinical sensitization data.Safe for use in cosmetics, with qualifications |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2922290090 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
Anwendungen & Verwendung
Verwenden
2-(2-Nitroanilino)ethanol is used in the preparation of (phenylamino)quinoxalinone derivatives which has been identified as a new class of glycogen phosphorylase inhibitors.