HRID 1325472촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
1,3-BIS(2,4,6-트리메틸페닐)-이미다졸리디늄-염화물
1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride
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기본 정보
- CAS
173035-10-4- 표준 SMILES
Cc1cc(C)c(N2C=[N+](c3c(C)cc(C)cc3C)CC2)c(C)c1.[Cl-]- InChIKey
COGMCBFILULEOS-UHFFFAOYSA-M- 분자식
- C21H27ClN2
- 평균 분자량
- 342.9 g/mol
- 단동위원소 질량
- 342.1862766
이름 및 식별자
- 우선 이름
- 1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride
- IUPAC
- 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium chloride
- 현지명
- 1,3-BIS(2,4,6-트리메틸페닐)-이미다졸리디늄-염화물
- 영어명
- 1,3-BIS(2,4,6-TRIMETHYLPHENYL)-IMIDAZOLIDINIUM-CHLORIDE
- 분자식
- C21H29ClN2
- 분자량
- 344.92
이름 및 동의어
1,3-Bis(2,4,6-trimethylphenyl)imidazolinium chlorideRefChem:413924627-865-2173035-10-41,3-dimesityl-4,5-dihydro-1H-imidazol-3-ium chlorideSIMes.HClMFCD090392791,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium chloride1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium;chlorideSCHEMBL442699SCHEMBL12504936DTXSID40938277
이름 더 보기
1,3-BIS(2,4,6-트리메틸페닐)-이미다졸리디늄-염화물inium ChL1,3-Bis(21,3-Bis-(2,4,6-1,3-Dimesitylimidazolidinium chloride1,3-DiMesityliMidazolidin-1-iuM chloride1,3-Bis-(2,4,6-trimethylphenyl)imidazolidinium4,5-Dihydro-1,3-dimesityl-1H-imidazolium chloride
AKOS025213338AS-10095SY020087B3158CS-0035217F0368621,3-dimesityl-4,5-dihydro-1H-imidazol-3-iumchloride1,3-Bis-(2,4,6-trimethylphenyl)imidazolidiniumchloride
데이터베이스 식별자
- CAS
173035-10-4- PubChem CID
- 2734917
- DTXSID
DTXSID40938277- EC Number
- 627-865-2
물성
구조 계산 물성보충 중
- 극성 표면적
- 6.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 379
물리화학적 성질
- 녹는점
- 280 · 280-286 °C
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 가루
- 색상
- 베이지~핑크 브라운
- InChI
- InChI=1S/C21H28N2.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;/h9-12H,7-8,13H2,1-6H3;1H
- InChIKey
- COGMCBFILULEOS-UHFFFAOYSA-M
- SMILES
- N1(CCN(C2=C(C)C=C(C)C=C2C)C1)C1C(C)=CC(C)=CC=1C.Cl
화학적 성질
beige to pink-brown powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- No
- HS 번호
- 29332990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도N-Heterocyclic Carbene Ligands Precursor to an N-heterocyclic carbene catalysts
일반 설명1,3-Bis(2,4,6-trimethylphenyl)imidazolinium chloride is an NHC (N-heterocyclic carbene) ligand which can bind with metal pre-catalysts to form complexes that show high catalytic activity.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
77건
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