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4,4'-ジメトキシジフェニルアミン
4,4'-ジメトキシジフェニルアミン · ビス(p-アニシル)アミン · 1,1'-イミノビス(4-メトキシベンゼン) · 4-メトキシフェニル(4-メトキシフェニル)アミン · ジ-p-アニシルアミン · 4,4'-イミノビス(1-メトキシベンゼン) · ビス(4-メトキシフェニル)アミン · ４，４’ジメトキシジフェニルアミン
識別子と物理属性
| CAS No. | 101-70-2 |
|---|---|
| 分子式 | C14H15NO2 |
| 平均分子量 | 229.27 g/mol |
| 単同位体質量 | 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 |
| 現地名 | 4,4'-ジメトキシジフェニルアミン |
化学・物理的性質
| XLogP | 3.6 |
|---|---|
| 極性表面積 | 30.5 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 4 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 184 |
| 溶解度 | less than 1 mg/mL at 66 °F (NTP, 1992)クロロホルム（微量）、酢酸エチル（微量）、メタノール（微量）メタノールに可溶。水に不溶。 |
| 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) |
| 融点 | 101-102°C |
| 沸点 | 371.18°C (rough estimate) |
| 密度 | 1.0955 (rough estimate) |
| 屈折率 | 1.5300 (estimate) |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 外観・状態 | 個体 |
| pKa（酸解離定数） | 2.16±0.40(Predicted) |
| 色 | オフホワイトからライトブラウン |
| BRN | 2214262 |
| 安定性 | 安定性可燃性。強力な酸化剤とは相容れない。 |
| 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 データベース | 101-70-2(CAS DataBase Reference) |
| NISTの化学物質情報 | Di-(4-methoxy phenyl) amine(101-70-2) |
| EPAの化学物質情報 | 4,4'-Dimethoxydiphenylamine (101-70-2) |
化学的特性
silver-grey crystalline solid
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 火災危険 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 健康有害性 | ACUTE/CHRONIC HAZARDS: This compound can produce extremely irritating fumes when exposed to air or fire. (NTP, 1992) |
| 反応性グループ | 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%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 応急処置 | 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. |
| 非火災時の漏出対応 | 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. |
用途
説明
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].
一般的な説明
Fine very light gray to silver-gray crystalline solid.