Bis(tri-o-tolylphosphine)palladium(II) Dichloride

• CAS: 40691-33-6
• Catalog Number: ACM40691336
• Category: Palladium series catalysts
• Molecular Weight: 786.066g/mol
• Molecular Formula: C42H42Cl2P2Pd
• Synonyms: 5531AB; SC10409; MFCD00274659 (98%); dichlorobis(tri-o-tolyl-phosphine)palladium(II); dichlorobis(tri-O-tolylphosphine)-palladium (II); DICHLOROBIS(TRI-ORTHO-TOLYLPHOSPHINE)PALLADIUM(II); FT-0696077; bis[tri(ortho-tolyl)phosphine] palladium chloride; Dichlorobis(tri-o-tolylphosphine)palladium; AK-76768
• IUPAC Name: dichloropalladium;tris(2-methylphenyl)phosphane
• Canonical SMILES: CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.Cl[Pd]Cl
• InChI: InChI=1S/2C21H21P.2ClH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2
• InChI Key: OTYPIDNRISCWQY-UHFFFAOYSA-L
• Application: Coupling reaction of aryl bromides with vinylic acetates.
• Complexity: 289
• Covalently-Bonded Unit Count: 3
• Exact Mass: 784.117g/mol
• Heavy Atom Count: 47
• Monoisotopic Mass: 784.117g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The molecular formula is C42H42Cl2P2Pd.

What is the molecular weight of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The molecular weight is 786.1 g/mol.

What is the IUPAC name of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The IUPAC name is palladium(2+);tris(2-methylphenyl)phosphane;dichloride.

What is the InChI of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The InChI is InChI=1S/2C21H21P.2ClH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2.

What is the InChIKey of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The InChIKey is OTYPIDNRISCWQY-UHFFFAOYSA-L.

What is the canonical SMILES of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The canonical SMILES is CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.[Cl-].[Cl-].[Pd+2].

What is the CAS number of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The CAS number is 40691-33-6.

What is the hydrogen bond donor count of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The hydrogen bond acceptor count is 2.

What is the chemical formula of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The chemical formula is C42H42Cl2P2Pd.

What are the synonyms of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The synonyms are palladium(2+);tris(2-methylphenyl)phosphane;dichloride, DTXSID70432137, AKOS015915766, and B2026.

What is the canonical SMILES representation of Bis(tri-o-tolylphosphine)palladium(II) Dichloride?

The canonical SMILES is CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.[Cl-].[Cl-].[Pd+2].

Is Bis(tri-o-tolylphosphine)palladium(II) Dichloride a canonicalized compound?

Yes, it is a canonicalized compound.