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Merck
CN

334995

Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)

Synonym(s):

Carbonylchlorohydrotris(triphenylphosphine)ruthenium

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About This Item

Linear Formula:
[(C6H5)3P]3Ru(CO)(Cl)H
CAS Number:
16971-33-8
Molecular Weight:
952.40
NACRES:
NA.22
PubChem Substance ID:
24860276
UNSPSC Code:
12161600
EC Number:
241-051-0
MDL number:
MFCD00049804

Key Documents

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InChI key

MVJRXTSUBHUUPN-UHFFFAOYSA-M

InChI

1S/3C18H15P.CO.ClH.Ru/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h3*1-15H;;1H;/q;;;;;+1/p-1

SMILES string

Cl[Ru].[C-]#[O+].c1ccc(cc1)P(c2ccccc2)c3ccccc3.c4ccc(cc4)P(c5ccccc5)c6ccccc6.c7ccc(cc7)P(c8ccccc8)c9ccccc9

reaction suitability

core: ruthenium, reagent type: catalyst

mp

204-206 °C (dec.) (lit.)

Quality Level

100

Related Categories

General description

Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) is a coordination compound commonly used as a catalyst in organic synthesis reactions such as hydrogenation, transfer hydrogenative C-C bond-forming reactions, transfer hydrogenation, and α-alkylation of ketones with primary alcohols. In addition, it is used as a precursor of pincer ruthenium carbonyl catalysts for hydrogenation.

Application

  • Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II): This ruthenium complex is used as a versatile catalyst for various reactions including hydrogenation, transfer hydrogenation, C-C bond-forming reactions, α-alkylation of ketones with primary alcohols, and as a precursor for pincer ruthenium carbonyl catalysts for hydrogenation. The complex is noted for its physical properties, such as decomposing above its melting point (204-206°C), and its solubility characteristics. It is very insoluble in water, ethanol, and DMSO, sparingly soluble in benzene and acetone, and slightly soluble in chloroform (Kuriyama, 2001).

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKDB0608
MKCT6106
MKCS4499
MKCR6823
MKCQ3483

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Carbonylchlorohydridotris (triphenylphosphine) ruthenium (II)
Kuriyama W
Encyclopedia of Reagents for Organic Synthesis, Second Edition, 1-7 (2001)

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