(1,5-Cyclooctadiene)pyridine(tricyclohexylphosphine)iridium hexafluorophosphate
Grundinformationen
- CAS
64536-78-3- Standard-SMILES
C1=C\CC/C=C\CC/1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.F[P-](F)(F)(F)(F)F.[Ir].c1ccncc1- InChIKey
WLRQNTYCIFESRH-KJWGIZLLSA-N- Summenformel
- C31H50F6IrNP2-
- Durchschnittliche Molmasse
- 804,9 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (1,5-Cyclooctadiene)pyridine(tricyclohexylphosphine)iridium hexafluorophosphate
- IUPAC
- (1Z,5Z)-cycloocta-1,5-diene;iridium;pyridine;tricyclohexylphosphane;hexafluorophosphate
- Englischer Name
- (1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate
- Summenformel
- C31H47F6IrNP2
- Molmasse
- 801.88
Namen und Synonyme
Crabtree's catalyst64536-78-3Felkin-crabtree catalystCrabtree's catalyst [MI]816RS2NBPNCrabtree's catalyst (hexafluorophosphate)(1,5-Cyclooctadiene)pyridine(tricyclohexylphosphine)iridium hexafluorophosphateDTXSID10370362((1,2,5,6-eta)-1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(1+) hexafluorophosphate(1-)Iridium(1+), ((1,2,5,6-eta)-1,5-cyclooctadiene)(pyridine)(tricyclohexylphosphine)-, hexafluorophosphate(1-) (1:1)((1,2,5,6-.ETA.)-1,5-CYCLOOCTADIENE)(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)IRIDIUM(1+) HEXAFLUOROPHOSPHATE(1-)IRIDIUM(1+), ((1,2,5,6-.ETA.)-1,5-CYCLOOCTADIENE)(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)-, HEXAFLUOROPHOSPHATE(1-) (1:1)
Weitere Namen anzeigen
CRABTREE CATALYST[Ir(cod)(PCy3)(py)]PF6tricyclohexylphosphinecyclooctadienepyridineiridium PF6(TRICYCLOHEXYLPHOSPHINE)(1,5-CYCLOOCTA- DIENE)(PYRIDINE)IRIDIUM(I) PF6(TRICYCLOHEXYLPHOSPHINE)(1,5-CYCLOOCTADIENE)(PYRIDINE)IRIDIUM (I) HEXAFLUOROPHOSPHATE
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 12,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 41
- Formalladung
- -1
- Komplexität
- 368
Physikochemische Eigenschaften
- Schmelzpunkt
- 175 °C · 175 °C (dec.)(lit.)
- Dichte
- 1.67 g/cm3 · 1.67 g/cm3
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Slightly)
- Aggregatzustand
- Crystalline Powder
- Farbe
- Orange
- Wasserlöslichkeit
- Slightly soluble in acetone, dichloromethane, ethanol and diethyl ether. Insoluble in water.
- Merck
- 13 · 13,2594
- InChIKey
- FGUUESBBRSXAAN-UHFFFAOYSA-O
- SMILES
- [P+5]([F-])([F-])([F-])([F-])([F-])[F-].P(C1CCCCC1)(C1CCCCC1)(C1CCCCC1)[Ir+]123(N4=CC=CC=C4)C4CCC1=C2CCC3=4
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- tsca
- No
- hs_code
- 29310099
- risk_code
- 36/37/38
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden1,5-Cyclooctadiene(pyridine)(tricyclohexylphosphine)iridium(I) hexafluorophosphate is used as a catalyst for hydrogenation of mono-, di-, tri-, and tetra-substituted substrates and the isomerization and hydroboration of alkenes. It is also used in isotope exchange reactions, especially the direct exchange of a hydrogen atom with its isotopes deuterium and tritium. Carbonyl groups are also known to direct the hydrogenation by the Crabtree catalyst is highly regioselective.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter102 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
清宁生物（江苏博泉生物科技有限公司）王 19352250998 13160238781 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
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