Chloro(cyclopentadienyl)[bis(diphenylphosphino)methane]ruthenium(II)

• CAS: 71397-33-6
• Catalog Number: ACM71397336
• Category: Ruthenium series catalysts
• Molecular Weight: 586.014g/mol
• Molecular Formula: C30H27ClP2Ru
• Synonyms: 71397-33-6;Chloro(cyclopentadienyl)[bis(diphenylphosphino)methane]ruthenium(II);Chloro(cyclopentadienyl)[bis(diphenylphosphino)-methane]ruthenium(II);MFCD07782002;C30H27ClP2Ru;1085AC;SC10203;Chloro(cyclopentadienyl)[bis(diphenylphosphino)methane]ruthenium(II), 97%
• IUPAC Name: chlororuthenium;cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane
• Canonical SMILES: C1=C[CH]C=C1.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ru]
• InChI: InChI=1S/C25H22P2.C5H5.ClH.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-4-5-3-1;;/h1-20H,21H2;1-5H;1H;/q;;;+1/p-1
• InChI Key: NFGZGIRSDQBCFT-UHFFFAOYSA-M
• Application: Chloro(cyclopentadienyl)[bis(diphenylphosphino)Methane]rutheniuM(II) is a useful catalyst for the anti-Markovnikov hydration of terminal alkynes.
• Complexity: 365
• Covalently-Bonded Unit Count: 3
• Exact Mass: 586.032g/mol
• Heavy Atom Count: 34
• Monoisotopic Mass: 586.032g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C30H27ClP2Ru.

What is the molecular weight of the compound?

The molecular weight of the compound is 586.0 g/mol.

What are the synonyms of the compound?

The synonyms of the compound are 71397-33-6, Chloro(cyclopentadienyl)[bis(diphenylphosphino)methane]ruthenium(II), Chloro(cyclopentadienyl)[bis(diphenylphosphino)-methane]ruthenium(II), MFCD07782002, WCA39733.

What is the parent compound of the compound?

The parent compound of the compound is CID 74952 (Bis(diphenylphosphino)methane).

What are the component compounds of the compound?

The component compounds of the compound are CID 421084 (Chloro ruthenium), CID 74952 (Bis(diphenylphosphino)methane), CID 137443 (Cyclopentadienyl).

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C25H22P2.C5H5.ClH.Ru/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-2-4-5-3-1;;/h1-20H,21H2;1-5H;1H;/q;;;+1/p-1.

What is the InChIKey of the compound?

The InChIKey of the compound is NFGZGIRSDQBCFT-UHFFFAOYSA-M.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is C1=C[CH]C=C1.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Ru].

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 0.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 0.