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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:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.167g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.524g/mol
Monoisotopic Mass:
474.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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 |
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