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Xantphos

CAT: 1596-AR-X19829-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-X19829-05Size:150
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CAS Number
161265-03-8
Molecular Formula
C39H32OP2
Molecular Weight
578.63
API Name
Xantphos

Chemical Information

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

structure in first source

CAS Number161265-03-8
PubChem CID636044
IUPAC Name(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane
Molecular FormulaC39H32OP2
Molecular Weight578.6
XLogP9.7
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity731
SMILES
CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C
InChI
InChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3
InChIKey
CXNIUSPIQKWYAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
CAS: 161265-03-8
CID: 636044
Formula: C39H32OP2
MW: 578.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.6
XLogP39.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass578.19283964
Monoisotopic Mass578.19283964
Topological Polar Surface Area9.2 Ų
Heavy Atom Count42
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M33641-01Xantphos
TYD-00109-01N-Xantphos
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TYD-00302-01Pd (Xantphos) Cl2
TRC-X144580-100MGXantphos Pd G3
OR1015428Xantphos Based Ligand
OR1015429-01Xantphos Palladacycle Gen3
DAD10523-01N-Xantphos Pd G4
RG-A261162-01Xantphos Impurity 1
OR510216-01Xantphos Palladacycle Gen. 2

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