기본 정보
- CAS
69563-88-8- 표준 SMILES
Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1- InChIKey
HHLMWQDRYZAENA-UHFFFAOYSA-N- 분자식
- C27H20F6N2O2
- 평균 분자량
- 518.4 g/mol
- 단동위원소 질량
- 518.1428972
이름 및 식별자
- 우선 이름
- Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-
- IUPAC
- 4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline
- 현지명
- 4,4'-[[2,2,2-트리플루오로-1-(트리플루오로메틸)에틸리덴]비스(4,1-페 닐렌옥시)]비스벤젠아민
- 영어명
- 2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane
- 분자식
- C27H20F6N2O2
- 분자량
- 518.45
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
69563-88-8- PubChem CID
- 94652
- DTXSID
DTXSID3071987- ChEMBL
CHEMBL4562388- EC Number
- 626-703-8
- Nikkaji
- J236.198A
물성
구조 계산 물성
- XLogP
- 7.6
- 극성 표면적
- 70.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 641
물리화학적 성질
- 녹는점
- 159 · 159-163 °C(lit.)
- 끓는 점
- 544.8 · 544.8±50.0 °C(Predicted)
- 밀도
- 1.3455 · 1.3455 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 수용성
- 물에 불용성
- 용해도
- DMSO에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 4.8 · 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
- 4 · 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
GHS Classification
Warning
H302 (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.
유해성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CY1213000
- HS 번호
- 29222990
- risk_code
- 22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(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)
화학 및 산업
용도 및 제조
응용 분야
개요2,2-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].
용도2,2-BIS[4-(4-AMINOPHENOXY)PHENYL]HEXAFLUOROPROPANE is used for the preparation of a polyimide material.
상·하류 제품 정보
상류 원료
공급사100 곳
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