4,4'-[[2,2,2-트리플루오로-1-(트리플루오로메틸)에틸리덴]비스(4,1-페 닐렌옥시)]비스벤젠아민
4,4'-[[2,2,2-트리플루오로-1-(트리플루오로메틸)에틸리덴]비스(4,1-페 닐렌옥시)]비스벤젠아민 · HFBAPP · 6FBAPP · 4-BDAF · 4,4'-(((Perfluoropropane-2,2-diyl)bis(4,1-phenylene))bis(oxy))dianiline · 4-(4-aminophenoxy)phenyl · BAPOFP · BIS-AF-A
![4,4'-[[2,2,2-트리플루오로-1-(트리플루오로메틸)에틸리덴]비스(4,1-페 닐렌옥시)]비스벤젠아민 분자 구조식](/img/chemical/94652.png)
식별자 및 물리적 특성
| CAS No. | 69563-88-8 |
|---|---|
| 분자식 | C27H20F6N2O2 |
| 평균 분자량 | 518.4 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 4,4'-[[2,2,2-트리플루오로-1-(트리플루오로메틸)에틸리덴]비스(4,1-페 닐렌옥시)]비스벤젠아민 |
화학 및 물리적 성질
| XLogP | 7.6 |
|---|---|
| 극성 표면적 | 70.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 10 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 37 |
| 형식 전하 | 0 |
| 복잡도 | 641 |
| 녹는점 | 159-163 °C(lit.) |
| 끓는 점 | 544.8±50.0 °C(Predicted) |
| 밀도 | 1.3455 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | 물에 불용성 |
| 용해도 | DMSO에 용해됨 |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 4.80±0.10(Predicted) |
| 색상 | 흰색에서 거의 흰색 |
| 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 |
| EPA | Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis- (69563-88-8) |
화학적 성질
2,2-BIS[4-(4-AMINOPHENOXY)PHENYL]HEXAFLUOROPROPANE is white crystal or powder
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CY1213000 |
| 관세 코드 | 29222990 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
| 함량 및 규제정보 | 물질구분: 유독물질혼합물(제품)함량정보: 4,4'-[[2,2,2-트리플루오로-1-(트리플루오로메틸)에틸리덴]비스(4,1-페 닐렌옥시)]비스벤젠아민 및 이를 25% 이상 함유한 혼합물 |
| 유해화학물질 필터링 | 2018-1-864(신규화학물질) |
용도
개요
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].
용도
2,2-BIS[4-(4-AMINOPHENOXY)PHENYL]HEXAFLUOROPROPANE is used for the preparation of a polyimide material.