CAS 89756-88-7 | 1,3-Bis((diphenylphosphino)methyl)benzene | CAS Number 89756-88-7

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89756-88-7 | 1,3-Bis((diphenylphosphino)methyl)benzene

CAS No: 89756-88-7 Catalog No: AG003DHX MDL No:MFCD16621402

Product Description

Catalog Number:

AG003DHX

Chemical Name:

1,3-Bis((diphenylphosphino)methyl)benzene

CAS Number:

89756-88-7

Molecular Formula:

C32H28P2

Molecular Weight:

474.5122

MDL Number:

MFCD16621402

IUPAC Name:

[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane

InChI:

InChI=1S/C32H28P2/c1-5-16-29(17-6-1)33(30-18-7-2-8-19-30)25-27-14-13-15-28(24-27)26-34(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-24H,25-26H2

InChI Key:

QLSOZHFOFHARBJ-UHFFFAOYSA-N

SMILES:

c1cc(CP(c2ccccc2)c2ccccc2)cc(c1)CP(c1ccccc1)c1ccccc1

Properties

Complexity:

467

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

474.167g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

474.524g/mol

Monoisotopic Mass:

474.167g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.2

Literature

Title	Journal
A catalytic and mechanistic investigation of a PCP pincer palladium complex in the Stille reaction.	Dalton transactions (Cambridge, England : 2003) 20050607
EPR study of intramolecular dynamics in o-semiquinonic nickel complexes with PCP-pincer ligand in solution.	Dalton transactions (Cambridge, England : 2003) 20040921
An EPR study of the intramolecular dynamics in o-semiquinonic nickel complexes with a diphosphorous pincer ligand.	Chemical communications (Cambridge, England) 20031021