化工社化工社 化学情報印刷レポート · 研究参考用
HCID 68356作成日：2026年11月1日
4,4',4''-(メタントリイル)トリスアニリン
4,4',4''-(メタントリイル)トリスアニリン · パラロイコアニリン · ロイコアニリン · ロイコパラフクシン · 4,4',4''-メチリジントリアニリン · ロイコパラロスアニリン · p-ロイコアニリン · 4,4',4''-メチリジントリスアニリン
https://huagongshe.com/ja/chemical/68356
識別子と物理属性
| CAS No. | 548-61-8 |
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| 分子式 | C19H19N3 |
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| 平均分子量 | 289.4 g/mol |
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| 単同位体質量 | 289.15789762 g/mol |
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| SMILES | Nc1ccc(C(c2ccc(N)cc2)c2ccc(N)cc2)cc1 |
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| InChIKey | ADUMIBSPEHFSLA-UHFFFAOYSA-N |
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| PubChem CID | 68356 |
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| ChEMBL | CHEMBL491772 |
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| EC No. | 208-952-0 |
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| DTXSID | DTXSID10203282 |
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| 現地名 | 4,4',4''-(メタントリイル)トリスアニリン |
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化学・物理的性質
| XLogP | 3.3 |
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| 極性表面積 | 78.1 |
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| 水素結合供与体数 | 3 |
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| 水素結合受容体数 | 3 |
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| 回転可能結合数 | 3 |
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| 重原子数 | 22 |
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| 形式電荷 | 0 |
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| 複雑度 | 269 |
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| 融点 | 208°C(lit.) |
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| 沸点 | 421.53°C (rough estimate) |
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| 密度 | 1.0545 (rough estimate) |
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| 蒸気圧 | 0Pa at 25℃ |
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| 屈折率 | 1.5800 (estimate) |
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| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
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| 溶解度 | soluble in Methanol |
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| 外観・状態 | powder to crystal |
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| pKa（酸解離定数） | 5.56±0.25(Predicted) |
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| 色 | White to Light yellow to Light red |
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| InChI | InChI=1S/C19H19N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,20-22H2 |
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| InChIKey | ADUMIBSPEHFSLA-UHFFFAOYSA-N |
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| SMILES | C(C1=CC=C(N)C=C1)(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1 |
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安全性と法規制
| GHS 分類 | H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 100 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| 規制情報 | REACH registered substance: 4,4',4''-methylidynetrianiline (EC: 208-952-0) |
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| Hazard Classes and Categories | Aquatic Chronic 3 (100%) |
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| 輸送番号（UN） | 2811 |
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| 税関コード | 29214990 |
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| 危険等級 | 6.1 |
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| 包装等級 | Ⅲ |
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用途
使用
tris(4-aminophenyl)methane is mainly used in the manufacture of poly isocyanate adhesive and polymer isocyanate adhesive is a rubber and metal or a non metal material is the best binder of rubber with various woven objects (natural or synthetic fiber) and leather adhesive is particularly suitable. Polymer isocyanate adhesive is a compound containing isocyanate group (- NCO) can interact with a variety of chemical groups (- Oh, - H, - NH2 or unsaturated substances), thereby the object firmly bonded together and adhesion is quite good, usually at or more than desire bonded non metal material strength. After bonding, the intrinsic bonding force can be maintained at high temperature and moisture, and it is welcomed by users.. Now widely used in aviation machinery, petrochemical, electronic machinery, transportation, construction, light industry and other departments.
