Grubbs Catalyst(TM) 3rd Generation

Base Information

• Chemical Name: Grubbs Catalyst(TM) 3rd Generation
• CAS No.: 900169-53-1
• Molecular Formula: C38H40Br2Cl2N4Ru
• Molecular Weight: 885.54300
• DSSTox Substance ID: DTXSID00457479
• Mol file: 900169-53-1.mol

Synonyms:MFCD09265164;SCHEMBL712813;DTXSID00457479;Grubbs Catalyst(TM) 3rd Generation;SY110668;C77042;A852733;Benzylidene[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlororuthenium--3-bromopyridine (1/2);Not available;Dichloro[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene](benzylidene)bis(3-bromopyridine)ruthenium(II)

Chemical Property of Grubbs Catalyst(TM) 3rd Generation

Chemical Property:

• Melting Point: 140°C (dec.)
• PSA: 32.26000
• LogP: 4.32880
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 884.00197
• Heavy Atom Count: 47
• Complexity: 782

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dichloro[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene](benzylidene)bis(3-bromopyridine)ruthenium(II) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC3=CC=CC=C3)(Cl)Cl)C4=C(C=C(C=C4C)C)C)C.C1=CC(=CN=C1)Br.C1=CC(=CN=C1)Br
• Uses: Labile pyridine ligands result in a very fast initiator (even at 0 °C). Effective in cross metathesis of acrylonitrile. Also effective in RCM and the ROMP production of block copolymers and polymers with narrow PDIs.