Chlorobis(cyclooctene)iridium(I) dimer

HCID 91972094

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 12246-51-4
표준 SMILES: C1=C\CCCCCC/1.C1=C\CCCCCC/1.C1=C\CCCCCC/1.C1=C\CCCCCC/1.[Cl-].[Cl-].[Ir].[Ir]
InChIKey: CJJIQMGSHWWMCK-XFCUKONHSA-L
분자식: C32H56Cl2Ir2-2
평균 분자량: 896.1 g/mol

이름 및 식별자

우선 이름: Chlorobis(cyclooctene)iridium(I) dimer
IUPAC: cyclooctene;bis(iridium);dichloride
영어명: BIS(CYCLOOCTENE)IRIDIUM(I) CHLORIDE, DIMER
분자식: C32H56Cl2Ir28*
분자량: 896.13

이름 및 동의어

12246-51-4Cyclooctene;iridium;dichlorideBIS(CYCLOOCTENE)IRIDIUM(I) CHLORIDE, DIMERCHLOROBIS(CYCLOOCTENE)IRIDIUM(I) DIMERChlorobis(cyclooctene)iridium(I)dimerDi-mu-chlorotetrakis(cyclooctene)diiridium(I)C32H56Cl2Ir2-2DTXSID001045899chlorobis(cyclooctene)-iridium(I) dimerCHLOROBIS(CYCLOOCTENE)IRIDIUM DIMERC2985DI-MU-CHLOROBIS(CYCLOOCTENE)IRIDIUM(I)

이름 더 보기

[IrCl(COE)2]2Chlorobis(cyclooctene)iridium(I)Bis(cyclooctene)iridium(I) chlorideBis(cyclooctene)di-μ-chloroiridium(I)Chlorobis(cyclooctene)iridium(Ⅰ) dimerCHLOROBIS(CYCLOOCTENE)IRIDIUM (I) DIMERChlorobis(cyclooctene)iridium(I)Dimer>Chlorobis(cyclooctene)iridium(I)dimer 97%

데이터베이스 식별자

CAS: 12246-51-4
PubChem CID: 91972094
DTXSID: DTXSID001045899
EC Number: 631-416-6

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 36
형식 전하: -2
복잡도: 62.1

물리화학적 성질

녹는점: 160 · 160-165 °C (dec.) (lit.)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 유기 용매에 용해됩니다.
물리적 상태: 수정 같은
색상: 노란색
InChI: InChI=1S/4C8H14.2ClH.2Ir/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/q;;;;;;2*+1/p-2/b4*2-1-;;;;
InChIKey: WBRREXQCZAFSKS-XFCUKONHSA-L
SMILES: C1CC[CH][CH]CCC1.C1CC[CH][CH]CCC1.C1CC[CH][CH]CCC1.C1CC[CH][CH]CCC1.Cl[Ir].Cl[Ir] |^1:3,4,11,12,19,20,27,28|

화학적 성질

Yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 45 reports by companies from 5 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: 28439000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Chlorobis(cyclooctene)iridium(I) dime is used as catalyst for Isomerization-hydroboration reactions with nido-carboranyldiphosphine as stabilizing ligand, Hydrogen peroxide oxidation of hydroxamic acids and their subsequent hetero Diels-Alder cycloaddition reactions, Immobilization of organic functional groups onto solid supports through vinylsilane coupling reactions, Alkylation reactions, Guerbet reaction, Allylic amination reactions in a DNA-diene-iridium(I) hybrid system, Asymmetric hydroamination reactions.