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2-Methoxy-4-nitroanilin
FAST RED B BASE · FAST RED B · RED B BASE · 2-AMINO-5-NITROANISOLE · RED B ASE · METHOXY-4-NITROANILINE · 4-NITRO-ORTHO-ANISIDINE · AZOIC DIAZO COMPONENT 5
Identifikatoren & physikalische Daten
| CAS No. | 97-52-9 |
|---|---|
| Summenformel | C7H8N2O3 |
| Durchschnittliche Molmasse | 168,15 g/mol |
| Monoisotopische Masse | 168,05349212 g/mol |
| SMILES | COc1cc([N+](=O)[O-])ccc1N |
| InChIKey | GVBHRNIWBGTNQA-UHFFFAOYSA-N |
| PubChem CID | 7337 |
| ChEMBL | CHEMBL1518220 |
| EC No. | 202-588-6 |
| DTXSID | DTXSID0038700 |
| Lokaler Name | 2-Methoxy-4-nitroanilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 81,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 169 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| Physical Description | CBIDeep yellow solid[NTP] Powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 140-142 °C(lit.) |
| Siedepunkt | 337.07°C (rough estimate) |
| Dichte | 1,211 g/cm3 |
| Brechungsindex | 1.6010 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 0.2g/lslightly soluble |
| pKa (Säurekonstante) | 1.02±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Yellow to orange |
| pH | 6.2 (0.2g/l, H2O, 20℃) |
| BRN | 879619 |
| InChI | 1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3 |
| InChIKey | GVBHRNIWBGTNQA-UHFFFAOYSA-N |
| SMILES | COc1cc(ccc1N)[N+]([O-])=O |
| CAS Datenbank | 97-52-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 2-methoxy-4-nitro-(97-52-9) |
| EPA chemische Informationen | 2-Methoxy-4-nitroaniline (97-52-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.5% (1 of 211) of reports.WarningH302 (99.1%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 211 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 2-methoxy-4-nitro-Benzenamine, 2-methoxy-4-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2-methoxy-4-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 14-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/68992-Methoxy-4-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzenamine, 2-methoxy-4-nitro-: Human health tier II assessment |
| Gefahrenübersicht | Suspected of being able to induce methemoglobinemiaOf 14 dye-stuff employees with positive patch test reactions to dye-stuffs, only 1 showed sensitization to this compoundNot a skin or eye irritant in rabbitsNo evidence of skin sensitization in guinea pig maximization testNo formation of methemoglobin or increased Heinz bodies detected in cats following oral administration[NTP] A 28-day oral study of rats produced changes in hematology, increased absolute and relative liver and spleen weights, myocardial necrosis, extramedullary hematopoiesis in the spleen, and a NOEL of 30 mg/kg/day[JECDB] An irritantMay induce methemoglobinemiaHarmful by inhalationToxic by ingestion and skin absorptionSuspected mutagen[Alfa Aesar MSDS] See p-Nitroaniline. See 5-Nitro-o-anisidine. |
| Hazard Classes and Categories | Acute Tox. 4 (99.1%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4 |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9 / PGIII |
| Zollcode | 29222900 |
| RTECS-Nr. | BZ7170000 |
| R-Sätze (R) | 22-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 2Carc. 2 |
Anwendungen & Verwendung
Verwenden
2-Methoxy-4-nitroaniline is used as a photometric reagent for the determination of ethinylestradiol (ETE), a semi-synthetic estrogen that is widely used in oral contraceptives.