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Tetrakis(triphenylphosphine)palladium

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Name

Tetrakis(triphenylphosphine)palladium

EINECS 238-086-9
CAS No. 14221-01-3 Density
Solubility insoluble in water Melting Point 103-107 ºC
Formula C72H60P4Pd Boiling Point 360oC at 760 mmHg
Molecular Weight 1155.56 Flash Point 181.7oC
Transport Information Appearance yellow crystals
Safety 22-24/25-36/37 Risk Codes 20/22-40
Molecular Structure Molecular Structure of 14221-01-3 (Tetrakis(triphenylphosphine)palladium) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

Palladium, tetrakis(triphenylphosphine)-, (T-4)-;Tetra(triphenylphosphine)palladium;Tetrakis(triphenylphosphine)palladium(o);Tetrakis(triphenylphosphine);Tetrakis(tripheny1phosphine)palladium (Pd(PPh3)4);

 

Tetrakis(triphenylphosphine)palladium Specification

The Tetrakis(triphenylphosphine)palladium, with the cas registry number 14221-01-3, has the IUPAC name of palladium; triphenylphosphane. This is a kind of yellow crystals and is insoluble in water, ether and alcohol while soluble in benzene, toluene. Besides, it is sensitive to light and air. Besides, its product categories are various, including Straight chain compounds; Metal Compounds; blocks; pharmacetical; Catalysts-Ligands; Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Metal Complexes; Pd (Palladium) Compounds; Synthetic Organic Chemistry; Transition Metal Compounds; Fine Chemical Catalysts.

The characteristics of this chemical are as follows: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 0 ; (4)#Freely Rotating Bonds: 3 ; (5)Polar Surface Area: 13.59 ; (6)Flash Point: 181.7 °C ; (7)Enthalpy of Vaporization: 58.18 kJ/mol ; (8)Boiling Point: 360 °C at 760 mmHg ; (9)Vapour Pressure: 4.74E-05 mmHg at 25°C ; (10)Exact Mass: 1154.268031; (11)MonoIsotopic Mass: 1154.268031; (12)Topological Polar Surface Area: 0; (13)Heavy Atom Count: 77; (14)Formal Charge: 0; (15)Complexity: 202.

Preparation of Tetrakis(triphenylphosphine)palladium:Tetrakis(triphenylphosphine)palladium was first prepared by Lamberto Malatesta and his group in Milan in the 1960s by reduction of sodium chloropalladate with hydrazine in the presence of the phosphine. It is commercially available, but can be prepared in two steps from Pd(II) precursors:
PdCl2 + 2 PPh3 → cis-PdCl2(PPh3)2
cis-PdCl2(PPh3)2 + 2 PPh3 + 2.5 N2H4 → Pd(PPh3)4 + 0.5 N2 + 2 N2H5+Cl-

Use of Tetrakis(triphenylphosphine)palladium: As to its usage, it is widely applied in many ways. It could be used in synthetize the catalytic agent in pharmaceutic and pesticide, such as being used in coupling reaction of Suzuki, Kumada and Negishi; It could also be used widely in important isomerization reaction. 

When deal with this chemical, you should be very cautious. Firstly, being irritating to eyes, respiratory system and skin, it may may cause inflammation to the skin or other mucous membranes. Seconldy, it is harmful and may cause damage to health. If by inhalation and if swallowed, it will be very dangerous. And it also has limited evidence of a carcinogenic effect. Therefore, you should take the following instructions to protect yourself. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. Then remember to avoid contacting with skin and eyes and do not breathe dust.

In addition, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=
CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd]
(2)InChI: InChI=1S/4C18H15P.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H; (3)InChIKey: NFHFRUOZVGFOOS-UHFFFAOYSA-N 

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