(5,5'-바이아이소벤조퓨란)-1,1'-테트론
4,4'-바이프탈릭다이무수물 · (5,5'-바이아이소벤조퓨란)-1,1'-테트론 · (5,5'-바이아이소벤조퓨란)-1,1',3,3'-테트론((5,5'-BIISOBENZOFURAN)-1,1',3,... · 4,4'-바이프탈릭 다이무수물 · [5,5'-바이아이소벤조퓨란]-1,1',3,3'-테트라온 · 3,3',4,4'-바이페닐테트라카복실산 3,4:3',4'-이무수물 · 3,3',4,4'-바이페닐테트라카복실산 무수물 · 3,3',4,4'-바이페닐테트라카복실산 이무수물
식별자 및 물리적 특성
| CAS No. | 2420-87-3 |
|---|---|
| 분자식 | C16H6O6 |
| 평균 분자량 | 294.21 g/mol |
| 단동위원소 질량 | 294.01643791 g/mol |
| SMILES | O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21 |
| InChIKey | WKDNYTOXBCRNPV-UHFFFAOYSA-N |
| PubChem CID | 75494 |
| ChEMBL | CHEMBL3185102 |
| EC No. | 219-342-9 |
| DTXSID | DTXSID8044886 |
| 현지명 | (5,5'-바이아이소벤조퓨란)-1,1'-테트론 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 86.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 517 |
| 녹는점 | 299-305 °C (lit.) |
| 끓는 점 | 614.9±48.0 °C(Predicted) |
| 밀도 | 1.625±0.06 g/cm3(Predicted) |
| 증기압 | 0Pa at 20℃ |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | almost transparency in hot DMF |
| 물리적 상태 | powder to crystal |
| 색상 | 회백색 |
| InChI | InChI=1S/C16H6O6/c17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18/h1-6H |
| InChIKey | WKDNYTOXBCRNPV-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=C(C3C=CC4C(=O)OC(=O)C=4C=3)C=C2)C(=O)O1 |
| LogP(분배 계수) | 3.91 |
| NIST | 3,3',4,4'-Biphenyltetracarboxylic acid dianhydride(2420-87-3) |
| EPA | [5,5'-Biisobenzofuran]-1,1',3,3'-tetrone (2420-87-3) |
화학적 성질
BPDA (3,3',4,4'-Biphenyltetracarboxylic dianhydride) is a raw material for the polyimide resin component of one of the super-engineering plastics. It is used for many important information and electronic technology products such as mobile phones and copying machines.
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29173990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | 2004-3-2710 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3,3',4,4'-biphenyltetracarboxylic dianhydride be used for the preparation of a polyimide material.
일반 설명
3,3′,4,4′-Biphenyltetracarboxylic dianhydride (s-BPDA) is a rigid symmetric polyamide with a diamine having a long distance between amine groups and reactive endgaps.
제조 및 합성 방법
제조 방법
The preparation of 3,3',4,4'-Biphenyltetracarboxylic dianhydride is as follows:In a nitrogen atmosphere, add N-(3-N,N-dimethylamino-propyl)-4-chlorophthalimide (26.65g, 0.1moL),Zinc powder (3.25g, 0.05moL), anhydrous NiCl2 (127.5mg, 1mmoL),Triphenylphosphine (250mg, 1mmoL) and 70 mL of anhydrous DMAc were stirred at 50°C for 24 hours, and 55mL of solvent DMAc was recovered under reduced pressure. Add 80g of xylene to the system and reflux (recrystallize), filter out the inorganic matter, the clarified filtrate will be cooled and precipitated, filtered, and vacuum dried for 10 hours. 21.8g of 3,3',4,4'-biphenylbisimine was obtained with a yield of 94%. In a 100mL reaction flask, add 4.62g (0.01mol) of the above 3,3',4,4'-biphenylbisimine and 9g of 20% sodium hydroxide aqueous solution, and heat to reflux for 24 hours. Filter and adjust pH=1 with concentrated hydrochloric acid to obtain 3,3’,4,4’-biphenyltetracarboxylic acid. After filtering, wash with water three times and reflux with water with 20mL trimethylbenzene.2.85g of white 3,3′,4,4′-biphenyltetracarboxylic dianhydride was obtained, the yield was 97%.