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3-Methoxy-4-methylanilin
o-cresidine · ORTHO-CRESIDINE · 2-METHYL-5-ANISIDINE · 3-Methoxy-p-toluidine · 5-AMINO-2-METHYLANISOLE · 4-AMINO-2-METHOXYTOLUENE · 2-METHOXY-4-AMINOTOLUENE · 3-Methoxy-4-methylaniline
Identifikatoren & physikalische Daten
| CAS No. | 16452-01-0 |
|---|---|
| Summenformel | C8H11NO |
| Durchschnittliche Molmasse | 137,18 g/mol |
| Monoisotopische Masse | 137,08406397 g/mol |
| SMILES | COc1cc(N)ccc1C |
| InChIKey | ONADZNBSLRAJFW-UHFFFAOYSA-N |
| PubChem CID | 27882 |
| ChEMBL | CHEMBL3188424 |
| EC No. | 240-500-8 |
| DTXSID | DTXSID9024855 |
| Lokaler Name | 3-Methoxy-4-methylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 105 |
| Löslichkeit | less than 1 mg/mL at 59 °F (NTP, 1992)Chloroform (Sparingly), Methanol (Slightly)Insoluble in water. |
| Flammpunkt | greater than 235 °F (NTP, 1992)>113℃ |
| Siedepunkt | 482 to 486 °F at 760 mmHg (NTP, 1992)252.03°C (rough estimate) |
| Schmelzpunkt | 124 to 129 °F (NTP, 1992)57-59 °C |
| Physical Description | O-cresidine is a brown chunky solid. (NTP, 1992) |
| Dichte | 1.0630 (rough estimate) |
| Brechungsindex | 1.5647 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.61±0.10(Predicted) |
| Farbe | Brown |
| InChI | 1S/C8H11NO/c1-6-3-4-7(9)5-8(6)10-2/h3-5H,9H2,1-2H3 |
| InChIKey | ONADZNBSLRAJFW-UHFFFAOYSA-N |
| SMILES | COc1cc(N)ccc1C |
| CAS Datenbank | 16452-01-0(CAS DataBase Reference) |
| EPA chemische Informationen | 3-Methoxy-4-methylaniline (16452-01-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzenamine, 3-methoxy-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | This chemical is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include drowsiness, skin and eye irritation, nausea, vomiting, weakness, somnolence, methemoglobinemia, liver damage, unconsciousness, and cyanosis. |
| Reaktive Gruppe | Amines, Aromatic |
| Reactivity Profile | O-CRESIDINE neutralizes acids in weakly exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides. Reacts with oxidizing agents (NTP, 1992). |
| Air and Water Reactions | Sensitive to prolonged exposure to air. Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
Anwendungen & Verwendung
Verwenden
3-Methoxy-4-methylaniline, afforded by an electrophilic substitution, using the 2-methoxy-substituted iron complex sail followed by oxidative cyclization with concomitant aromation of the resulting iron complex. It is used to produce 8-methoxy-7-methylalloxazine. This reaction will need solvent ethanol, H2O