(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kappaN)phenyl-kappaC]iridium(III) Hexafluorophosphate
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기본 정보
- CAS
870987-63-6- 표준 SMILES
CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.F[P-](F)(F)(F)(F)F.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1.Fc1c[c-]c(-c2ccc(C(F)(F)F)cn2)c(F)c1.[Ir+3]- InChIKey
LJQLCJWAZJINEB-UHFFFAOYSA-N- 분자식
- C42H34F16IrN4P
- 평균 분자량
- 1,121.9 g/mol
- 단동위원소 질량
- 1,122.18948
이름 및 식별자
- 우선 이름
- (4,4'-Di-tert-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kappaN)phenyl-kappaC]iridium(III) Hexafluorophosphate
- IUPAC
- 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+);hexafluorophosphate
- 영어명
- hexafluorophosphate
- 분자식
- C42H34F10IrN4.PF6
- 분자량
- 1121.91
이름 및 동의어
(4,4'-Di-tert-butyl-2,2'-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-kappaN)phenyl-kappaC]iridium(III) Hexafluorophosphate(4,4'-Di-tert-butyl-2,2'-bipyridine)bis(3,5-difluoro-2-(5-trifluoromethyl-2-pyridinyl-kappaN)phenyl-kappaC)iridium(III) HexafluorophosphateRefChem:401783811-445-2949-367-7870987-63-6iridium(3+) ion bis(3,5-difluoro-2-(5-(trifluoromethyl)pyridin-2-yl)benzen-1-ide) 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine hexafluoro-lambda5-phosphanuideiridium(3+) ion bis(3,5-difluoro-2-[5-(trifluoromethyl)pyridin-2-yl]benzen-1-ide) 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine hexafluoro-lambda5-phosphanuideBis[3,5-Difluoro-2-[5-(trifluoromethyl)-2-pyridyl]phenyl]iridium(1+); 4-tert-butyl-2-(4-tert-butyl-2-pyridyl)pyridine; hexafluorophosphate[4,?4'-?Bis(tert-butyl)?-?2,?2'-?bipyridine]?bis[3,?5-?difluoro-?2-?[5-?(trifluoromethyl)?-?2-?pyridinyl]?phenyl]?iridium(III) hexafluorophosphateSCHEMBL21996777AKOS027469854
이름 더 보기
Ir[dF(CF3)ppy]2(dtbbpy)PF6
물성
구조 계산 물성보충 중
- 극성 표면적
- 51.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 64
- 형식 전하
- 0
- 복잡도
- 1,270
물리화학적 성질
- 녹는점
- 300 °C · >300 °C
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 클로로포름(약간 용해됨)
- 물리적 상태
- 수정 같은
- 색상
- 노란색
- InChI
- InChI=1S/F6P/c1-7(2,3,4,5)6/q-1
- InChIKey
- LJQLCJWAZJINEB-UHFFFAOYSA-N
- SMILES
- [P-](F)(F)(F)(F)(F)F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (20%): 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Hazard Classes and Categories
Acute Tox. 4 (20%)
Skin Irrit. 2 (100%)
안전 데이터
- wgk
- WGK 3
- tsca
- No
- HS 번호
- 2843909000
- risk_code
- 36/37/38
- safety_code
- 26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(Ir[dF(CF3)ppy]2(dtbpy))PF6 is a cyclometalated iridium(III) complex that can be used in visible-light mediated photocatalytic organic transformations.It has been used to achieve late-stage incorporation of alkyl groups to a variety of biologically active heterocycles.
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