Chlorobis(cyclooctene)iridium(I) dimer

HCID 91972094

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Grundinformationen

CAS: 12246-51-4
Standard-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
Summenformel: C32H56Cl2Ir2-2
Durchschnittliche Molmasse: 896,1 g/mol

Namen und Bezeichner

Bevorzugter Name: Chlorobis(cyclooctene)iridium(I) dimer
IUPAC: cyclooctene;bis(iridium);dichloride
Englischer Name: BIS(CYCLOOCTENE)IRIDIUM(I) CHLORIDE, DIMER
Summenformel: C32H56Cl2Ir28*
Molmasse: 896.13

Namen und Synonyme

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)

Weitere Namen anzeigen

[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%

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 36
Formalladung: -2
Komplexität: 62,1

Physikochemische Eigenschaften

Schmelzpunkt: 160 · 160-165 °C (dec.) (lit.)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Soluble in organic solvents.
Aggregatzustand: crystal
Farbe: yellow
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|

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: No
hs_code: 28439000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenChlorobis(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.