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