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Bis(benzonitrile)palladium chloride

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Name

Bis(benzonitrile)palladium chloride

EINECS 238-085-3
CAS No. 14220-64-5 Density N/A
PSA 47.58000 LogP 4.49556
Solubility insoluble in water Melting Point 131 °C(lit.)
Formula C14H10Cl2N2Pd Boiling Point 191.1 °C at 760 mmHg
Molecular Weight 383.573 Flash Point 71.7 °C
Transport Information UN 3439 Appearance yellow powder
Safety 22-24/25-23 Risk Codes 20/21
Molecular Structure Molecular Structure of 14220-64-5 (Bis(benzonitrile)palladium chloride) Hazard Symbols HarmfulXn
Synonyms

Palladium dichloridebis(benzonitrile);Benzonitrile, palladium complex;Bis(benzonitrile)dichloropalladium;Bis(benzonitrile)palladium dichloride;Bis(phenylnitrile)dichloropalladium;Dibenzonitrilepalladiumdichloride;Dichlorobis(benzonitrile)palladium(II);NSC 169967;Palladium chloride bisbenzonitrile complex;

Article Data 20

Bis(benzonitrile)palladium chloride Specification

The Palladium,bis(benzonitrile)dichloro-, with CAS registry number 14220-64-5, belongs to the following product categories: (1)Metal Compounds; (2)Catalysts for Organic Synthesis; (3)Classes of Metal Compounds; (4)Homogeneous Catalysts; (5)Metal Complexes; (6)Pd (Palladium) Compounds; (7)Synthetic Organic Chemistry; (8)Transition Metal Compounds. It has the systematic name of benzonitrile - dichloropalladium (2:1). This chemical is a kind of yellow powder. The main use of this chemical is for organic reagent.

Physical properties of Palladium,bis(benzonitrile)dichloro-: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.66; (6)ACD/BCF (pH 7.4): 10.66; (7)ACD/KOC (pH 5.5): 189.36; (8)ACD/KOC (pH 7.4): 189.36; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Enthalpy of Vaporization: 42.73 kJ/mol; (14)Vapour Pressure: 0.524 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This Palladium,bis(benzonitrile)dichloro- is harmful by inhalation and in contact with skin. When use this chemical, do not breathe dust and do not breathe vapour. You should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccccc1.Cl[Pd]Cl.N#Cc1ccccc1
(2)InChI: InChI=1/2C7H5N.2ClH.Pd/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
(3)InChIKey: WXNOJTUTEXAZLD-NUQVWONBAE
(4)Std. InChI: InChI=1S/2C7H5N.2ClH.Pd/c2*8-6-7-4-2-1-3-5-7;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
(5)Std. InChIKey: WXNOJTUTEXAZLD-UHFFFAOYSA-L

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