Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate

• CAS: 80049-61-2
• Catalog Number: ACM80049612-1
• Category: Ruthenium series catalysts
• Molecular Weight: 434.3
• Molecular Formula: C11H14F6N3PRu
• Synonyms: (Cyclopentadienyltris(acetonitrile)ruthenium hexafluorophosphate
• Canonical SMILES: CC#N.CC#N.CC#N.C1=C[CH]C=C1.F[P-](F)(F)(F)(F)F.[Ru+]
• InChI: InChI=1S/C5H5.3C2H3N.F6P.Ru/c1-2-4-5-3-1;3*1-2-3;1-7(2,3,4,5)6;/h1-5H;3*1H3;/q;-1;+1
• InChI Key: HJQVFVSAQOQXRG-UHFFFAOYSA-N
• Appearance: yellow to orange powder
• Application: Catalyst used for the coupling of allene with activated olefines to form 1,3-diene.; ; Catalyst used for the dimerization of propargyl alcohols.; ; Catalyst used in the Trost's ruthenium-catalyzed ene-yne cross-coupling reaction.; ; Catalyst for asymmetric cyclization of ω-hydroxy allyl alcohols to give α-alkenyl cyclic ethers.; ; Catalyst for synthesis of furans from bis(alkynes) and DMSO.
• Storage: Refrigerator (+4°C)
• Complexity: 130
• Covalently-Bonded Unit Count: 6
• Defined Atom Stereocenter Count: 0
• Exact Mass: 434.987294
• Hazard Statements: H315-H319-H335
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 10
• Hydrogen Bond Donor Count: 0
• MDL Number: MFCD02684569
• Monoisotopic Mass: 434.987294
• Rotatable Bond Count: 0
• Safety Description: Warning
• Symbol: GHS07
• Topological Polar Surface Area: 71.4 Ų

Custom Reviews

January 20, 2023

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Work good in synthetic ammonia
In the presence of ammonia, Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate can convert secondary amine into primary amine.

Custom Q&A

What is the molecular formula of Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate?

The molecular formula is C11H14F6N3PRu.

What is the molecular weight of Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate?

The molecular weight is 434.3 g/mol.

What are the synonyms for Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate?

Some synonyms include MFCD02684569, SC10290, and Tris(acetonitrile)cyclopentadienylruthenium hexafluorophosphate.

What are the component compounds of Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate?

The component compounds are Cyclopentadienyl, Acetonitrile, Hexafluorophosphate, and Ruthenium.

What is the InChIKey of Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate?

The InChIKey is HJQVFVSAQOQXRG-UHFFFAOYSA-N.

What is the Canonical SMILES representation of Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate?

The Canonical SMILES is CC#N.CC#N.CC#N.C1=C[CH]C=C1.F[P-](F)(F)(F)(F)F.[Ru+].

What is the CAS number for Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate?

The CAS number is 80049-61-2.

How many hydrogen bond acceptors does Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate have?

It has 10 hydrogen bond acceptors.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the formal charge of Tris(acetonitrile)cyclopentadienylruthenium(II) hexafluorophosphate?

The formal charge is 0.