Bis(tri-o-tolylphosphine)palladium(II) dichloride supplier

Name
DICHLOROBIS(TRI-O-TOLYLPHOSPHINE)PALLADIUM(II)
EINECS
CAS No. 40691-33-6
Article Data4
CAS DataBase
Density
Solubility
Melting Point 280 °C (dec.)(lit.)
Formula C₄₂H₄₂Cl₂P₂Pd
Boiling Point 412.4 °C at 760 mmHg
Molecular Weight 786.069
Flash Point 214.6 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes 53
Molecular Structure
Hazard Symbols
Synonyms Phosphine,tris(2-methylphenyl)-, palladium complex;Bis[tri(o-tolyl)phosphine]palladiumdichloride;Dichlorobis(tri-o-tolylphosphine)palladium;Dichlorobis(tris(2-tolyl)phosphine)palladium;Dichlorobis(tris(o-tolyl)phosphine)palladium;dichlorobis[tris(2-methylphenyl)phosphine]palladium;
PSA 27.18000
LogP 10.11900

Bis(tri-o-tolylphosphine)palladium(II) dichloride Specification

This chemical is called Palladium, dichlorobis[tris(2-methylphenyl)phosphine]-, and its CAS registry number is 40691-33-6. With the molecular formula of C₄₂H₄₂Cl₂P₂Pd, its molecular weight is 786.06. Additionally, its product categories are Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Metal Complexes; Pd (Palladium) Compounds; Synthetic Organic Chemistry; Transition Metal Compounds; Catalysis and Inorganic Chemistry; Homogeneous Pd Catalysts; Palladium.

Other characteristics of the Palladium, dichlorobis[tris(2-methylphenyl)phosphine]- can be summarised as followings: (1)ACD/LogP: 7.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 139115; (6)ACD/BCF (pH 7.4): 139115; (7)ACD/KOC (pH 5.5): 167188; (8)ACD/KOC (pH 7.4): 167188; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 13.59 Å²; (13)Flash Point: 214.6 °C; (14)Enthalpy of Vaporization: 63.92 kJ/mol; (15)Boiling Point: 412.4 °C at 760 mmHg; (16)Vapour Pressure: 1.24E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [Pd+2].[Cl-].[Cl-].c3(c(P(c1ccccc1C)c2ccccc2C)cccc3)C.c1cccc(c1P(c2ccccc2C)c3ccccc3C)C
2.InChI: InChI=1/2C21H21P.2ClH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2
3.InChIKey: OTYPIDNRISCWQY-NUQVWONBAS

Product Name

DICHLOROBIS(TRI-O-TOLYLPHOSPHINE)PALLADIUM(II)

Bis(tri-o-tolylphosphine)palladium(II) dichloride Specification

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