Bis[di-(tert-butyl)(4-trifluoromethylphenyl)phosphine]palladium(II) chloride

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Product Information

Molecular Formula
C30H44Cl2F6P2Pd
Molecular Weight
757.93
Description
Catalyst for Suzuki Coupling reaction of heteroaryl chlorides
Synonyms
Bis[di-(tert-butyl)(4-trifluoromethylphenyl)phosphine]palladium(II) chloride; ditert-butyl-[4-(trifluoromethyl)phenyl]phosphane; palladium(2+); dichloride
IUPAC Name
ditert-butyl-[4-(trifluoromethyl)phenyl]phosphanepalladium(2+)dichloride
SMILES
CC(C)(C)P(C1=CC=C(C=C1)C(F)(F)F)C(C)(C)C.CC(C)(C)P(C1=CC=C(C=C1)C(F)(F)F)C(C)(C)C.[Cl-].[Cl-].[Pd+2]
InChI
InChI=1S/2C15H22F3P.2ClH.Pd/c2*1-13(2,3)19(14(4,5)6)12-9-7-11(8-10-12)15(16,17)18/h2*7-10H,1-6H32*1H/q+2/p-2
InChI Key
ATVRGWRBZLLSJD-UHFFFAOYSA-L
Melting Point
230 °C (D)

Safety Information

Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
6
Exact Mass
756.12343 g/mol
Monoisotopic Mass
756.12343 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
41
Formal Charge
0
Complexity
274
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
5
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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