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1,3-Bis(diphenylphosphinomethyl)benzene

Catalog Number
ACM89756887-2
Product Name
1,3-Bis(diphenylphosphinomethyl)benzene
Structure
1,3-Bis(diphenylphosphinomethyl)benzene
CAS
89756-88-7
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Synonyms
α,α'-Bis(diphenylphosphino)-m-xylene; [1,3-Phenylenebis(methylene)]bis[diphenyl]phosphine
IUPAC Name
[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
Molecular Weight
474.51
Molecular Formula
C32H28P2
Canonical SMILES
C1=CC=C(C=C1)P(CC2=CC(=CC=C2)CP(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5;
InChI
QLSOZHFOFHARBJ-UHFFFAOYSA-N
InChI Key
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
Boiling Point
605.0±48.0 °C(Predicted)
Melting Point
50-55 °C
Flash Point
>110 °C
Purity
98%
Complexity
467
Covalently-Bonded Unit Count
1
Exact Mass
474.167g/mol
Heavy Atom Count
34
Isomeric SMILES
C1=CC=C(C=C1)P(CC2=CC(=CC=C2)CP(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
Monoisotopic Mass
474.167g/mol
Rotatable Bond Count
8
Topological Polar Surface Area
0A^2
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