2,2-ビス[4-(4-アミノフェノキシ)フェニル]ヘキサフルオロプロパン
2,2-ビス[4-(4-アミノフェノキシ)フェニル]ヘキサフルオロプロパン · 2, 2-ビス[4-(4-アミノフェノキシ)フェニル]-ヘキサフルオロプロパン · 4,4'-(ヘキサフルオロイソプロピリデン)ビス[(4-アミノフェノキシ)ベンゼン] · 4,4'-[ヘキサフルオロイソプロピリデンビス(P-フェニレンオキシ)]ジアニリン · 4,4'-(ヘキサフルオロイソプロピリデン)ビス(P-フェニレンオキシ)ジアニリン · 4,4′-(ヘキサフルオロイソプロピリデン)ビス[(4,1-フェニレン)(オキシ)]ビス(ベンゼンアミン) · 4,4′-(ヘキサフルオロイソプロピリデン)ビス(p-フェニレン)ビスオキシジアニリン · 4-(4-{2-[4-(4-アミノフェノキシ)フェニル]-1,1,1,3,3,3-ヘキサフルオロプロパン-2-イル}フェノキシ)アニリン
![2,2-ビス[4-(4-アミノフェノキシ)フェニル]ヘキサフルオロプロパン の分子構造式](/img/chemical/94652.png)
識別子と物理属性
| CAS No. | 69563-88-8 |
|---|---|
| 分子式 | C27H20F6N2O2 |
| 平均分子量 | 518.4 g/mol |
| 単同位体質量 | 518.1428972 g/mol |
| SMILES | Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1 |
| InChIKey | HHLMWQDRYZAENA-UHFFFAOYSA-N |
| PubChem CID | 94652 |
| ChEMBL | CHEMBL4562388 |
| EC No. | 626-703-8 |
| DTXSID | DTXSID3071987 |
| 現地名 | 2,2-ビス[4-(4-アミノフェノキシ)フェニル]ヘキサフルオロプロパン |
化学・物理的性質
| XLogP | 7.6 |
|---|---|
| 極性表面積 | 70.5 |
| 水素結合供与体数 | 2 |
| 水素結合受容体数 | 10 |
| 回転可能結合数 | 6 |
| 重原子数 | 37 |
| 形式電荷 | 0 |
| 複雑度 | 641 |
| 融点 | 159-163 °C(lit.) |
| 沸点 | 544.8±50.0 °C(Predicted) |
| 密度 | 1.3455 (estimate) |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,Room temperature |
| 溶解度 | Insoluble in waterSoluble in DMSO |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | 4.80±0.10(Predicted) |
| 色 | White to Almost white |
| InChI | InChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2 |
| InChIKey | HHLMWQDRYZAENA-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(C1=CC=C(OC2=CC=C(N)C=C2)C=C1)(C(F)(F)F)C(F)(F)F |
| CAS データベース | 69563-88-8(CAS DataBase Reference) |
| EPAの化学物質情報 | Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis- (69563-88-8) |
化学的特性
2,2-BIS[4-(4-AMINOPHENOXY)PHENYL]HEXAFLUOROPROPANE is white crystal or powder
安全性と法規制
| GHS 分類 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | CY1213000 |
| 税関コード | 29222990 |
| 危険文句（R） | 22-36/37/38 |
| 危険表示 | Xn,Xi |
| 安全措置（S） | 26-36 |
| 危険等級 | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
高分子量ポリイミドの合成用。
説明
2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane (4-BDAF or HFBAPP) is composed of two phenoxyanilines linked by a hexafluoroisopropane. 4-BDAF is commonly used in the synthesis of polyimides, and the semicrystalline and amorphous fluorinated polyimides developed have high transition temperatures and good The developed semi-crystalline and amorphous fluorinated polyimides have high transition temperatures and good thermal stability. Polyimides derived from 4-BDAF and trimellitic anhydride (PMDA) are semi-crystalline and have a melting point of 472°C. Addition of 6F dianhydride (2,2′-bis(3,4-dicarboxyphenyl)hexafluoropropane dianhydride, 6FDA) as a copolymer monomer to the PMDA/4-BDAF polyimides lowers the melting point to 440°C. The melting point of the polyimides is reduced to 440°C by using 1,1-bis(4-aminophenyl)-1 Polyimides based on 1,1-bis(4-aminophenyl)-1-phenyl-2,2,2-trifluoroethane (3F diamine, 3FDAM) are soluble and amorphous. The glass transition temperature of PMDA/3FDAM-based polyimides exceeds 420°C. These fluoropolyimide systems are currently being investigated as candidates for high-temperature applications[1].
使用
2,2-BIS[4-(4-AMINOPHENOXY)PHENYL]HEXAFLUOROPROPANE is used for the preparation of a polyimide material.