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28966-81-6

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Basic Information
CAS No.: 28966-81-6
Name: trans-Bis(triphenylphosphine)palladium dichloride
Article Data: 34
Molecular Structure:
Molecular Structure of 28966-81-6 (trans-Bis(triphenylphosphine)palladium dichloride)
Formula: C36H30Cl2P2Pd
Molecular Weight: 701.908
Synonyms: Palladium,dichlorobis(triphenylphosphine)-, trans- (8CI);trans-Bis(triphenylphosphine)palladium dichloride;trans-Bis(triphenylphosphine)palladium(II) dichloride;trans-Dichlorobis(triphenylphosphine)palladium;trans-Dichlorobis(triphenylphosphine)palladium(II);
EINECS: 237-744-2
Melting Point: 260℃
Boiling Point: 360 °C at 760 mmHg
Flash Point: 181.7 °C
Appearance: yellow solid
Hazard Symbols: R22:; R36/37/38:;
Risk Codes:  Xn:Harmful;
">  Xn:Harmful;
PSA: 27.18000
LogP: 0.89760
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Specification

The trans-Bis(triphenylphosphine)palladium dichloride, its cas register number is 28966-81-6. It also can be called as trans-Dichlorobis(triphenylphosphine)palladium (II) and the Systematic name about this chemical is palladium(2+) chloride - triphenylphosphane (1:2:2). It belongs to the Fine Chemical Catalysts.

Physical properties about trans-Bis(triphenylphosphine)palladium dichloride are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12427.96; (6)ACD/BCF (pH 7.4): 12427.96; (7)ACD/KOC (pH 5.5): 29672.91; (8)ACD/KOC (pH 7.4): 29672.91; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 13.59 ?2; (11)Enthalpy of Vaporization: 58.18 kJ/mol; (12)Vapour Pressure: 4.74E-05 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES:[Pd+2].[Cl-].[Cl-].c3c(P(c1ccccc1)c2ccccc2)cccc3.c1ccccc1P(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/2C18H15P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
(3)InChIKey: YNHIGQDRGKUECZ-NUQVWONBAO
(4)Std. InChI: InChI=1S/2C18H15P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
(5)Std. InChIKey: YNHIGQDRGKUECZ-UHFFFAOYSA-L