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N-(4-Methoxyphenyl)-p-anisidin
BIS(4-METHOXYPHENYL)AMINE · K0353 · Termofleks A · DI-P-ANISYLAMINE · BIS(P-ANISYL)AMINE · Di-P-Methoxyphenyl · 4,4'-DIMETHOXYDIPHEN · 4,4'-DIMETHOXYDIPHENYL
Identifikatoren & physikalische Daten
| CAS No. | 101-70-2 |
|---|---|
| Summenformel | C14H15NO2 |
| Durchschnittliche Molmasse | 229,27 g/mol |
| Monoisotopische Masse | 229,11027872 g/mol |
| SMILES | COc1ccc(Nc2ccc(OC)cc2)cc1 |
| InChIKey | VCOONNWIINSFBA-UHFFFAOYSA-N |
| PubChem CID | 7571 |
| ChEMBL | CHEMBL1586339 |
| EC No. | 202-968-1 |
| DTXSID | DTXSID3025093 |
| Lokaler Name | N-(4-Methoxyphenyl)-p-anisidin |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 184 |
| Löslichkeit | less than 1 mg/mL at 66 °F (NTP, 1992)Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)Soluble in methanol. Insoluble in water. |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | 4,4'-dimethoxydiphenylamine is a fine very light gray to silver-gray crystalline solid. (NTP, 1992) |
| Schmelzpunkt | 101-102°C |
| Siedepunkt | 371.18°C (rough estimate) |
| Dichte | 1.0955 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.16±0.40(Predicted) |
| Farbe | Off-White to Light Brown |
| BRN | 2214262 |
| Stabilität | Stability Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C14H15NO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10,15H,1-2H3 |
| InChIKey | VCOONNWIINSFBA-UHFFFAOYSA-N |
| SMILES | COc1ccc(Nc2ccc(OC)cc2)cc1 |
| CAS Datenbank | 101-70-2(CAS DataBase Reference) |
| NIST chemische Informationen | Di-(4-methoxy phenyl) amine(101-70-2) |
| EPA chemische Informationen | 4,4'-Dimethoxydiphenylamine (101-70-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Brandgefahren | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: This compound can produce extremely irritating fumes when exposed to air or fire. (NTP, 1992) |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 4,4'-DIMETHOXYDIPHENYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | This chemical may be sensitive to prolonged exposure to air. Slowly oxidized. Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 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. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29222990 |
| RTECS-Nr. | DU9085000 |
| R-Sätze (R) | 68-40-36/37/38 |
| Toxizität | mouse,LD50,oral,2500mg/kg (2500mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)BEHAVIORAL: TREMORLUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,Kauchuk i Rezina. Crude and Vulcanized Rubber. Vol. 26(9), Pg. 28, 1967. |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-36/37/39-36/37-26-53 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Carc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
4,4'-Dimethoxydiphenylamine is a diphenylamine containing electron-donating substituents that exhibits antioxidant activity. When present as an antioxidant, it is consumed to generate nitroso radicals, which in turn exert antioxidant effects [1]. It can also be used in the synthesis of 9,9′-bis(fluorenylidene) (KR216) hole-transporting materials. When applied in perovskite solar cells, it achieves a power conversion efficiency of 17.8% [2].