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Palladium,bis[1,1'-(1,2-ethanediyl)bis[1,1-diphenylphosphine-kP]]-, (T-4)- (31277-98-2)

Identification
Name:Palladium,bis[1,1'-(1,2-ethanediyl)bis[1,1-diphenylphosphine-kP]]-, (T-4)-
Synonyms:Palladium,bis[1,2-ethanediylbis[diphenylphosphine-kP]]-, (T-4)- (9CI);Palladium, bis[1,2-ethanediylbis[diphenylphosphine]-P,P']-,(T-4)-;Palladium, bis[ethylenebis[diphenylphosphine]]- (7CI,8CI);Bis[1,2-(diphenylphosphino)ethane]palladium;Bis[1,2-bis(diphenylphosphino)ethane]palladium;Bis[1,2-bis(diphenylphosphino)ethane]palladium(II);Bis[ethylenebis[diphenylphosphine]]palladium;Pd(dppe)2;
CAS:31277-98-2
Molecular Formula: C52H48P4Pd
Molecular Weight: 903.25
InChI: InChI=1/2C26H24P2.Pd/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h2*1-20H,21-22H2;
Molecular Structure: (C52H48P4Pd) Palladium,bis[1,2-ethanediylbis[diphenylphosphine-kP]]-, (T-4)- (9CI);Palladium, bis[1,2-ethanediylb...
Properties
Transport:1479
Water Solubility:insoluble
Solubility:insoluble
Appearance:yellow to orange crystalline powder
Specification:

The cas register number of Bis[1,2-bis(diphenylphosphino)ethane]palladium(0) is 31277-98-2. It also can be called as Palladium,bis[1,1'-(1,2-ethanediyl)bis[1,1-diphenylphosphine-kP]]-, (T-4)- and the Systematic name about this chemical is ethane-1,2-diylbis(diphenylphosphane) - palladium (2:1). It belongs to the following product categories, such as Catalysts for Organic Synthesis, Classes of Metal Compounds, Homogeneous Catalysts, Metal Complexes, Pd (Palladium) Compounds, Synthetic Organic Chemistry, Transition Metal Compounds and so on.

Physical properties about Bis[1,2-bis(diphenylphosphino)ethane]palladium(0) are: (1)ACD/LogP: 8.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.74; (4)ACD/LogD (pH 7.4): 8.74; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1347062.88; (8)ACD/KOC (pH 7.4): 1347062.88; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 27.18Å2; (11)Flash Point: 281.7 °C; (12)Enthalpy of Vaporization: 75.68 kJ/mol; (13)Boiling Point: 514.8 °C at 760 mmHg; (14)Vapour Pressure: 3.38E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Pd].P(c1ccccc1)(c2ccccc2)CCP(c3ccccc3)c4ccccc4.c1ccccc1P(c2ccccc2)CCP(c3ccccc3)c4ccccc4
(2)InChI: InChI=1/2C26H24P2.Pd/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h2*1-20H,21-22H2;
(3)InChIKey: FAFGMAGIYHHRKN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/2C26H24P2.Pd/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h2*1-20H,21-22H2;
(5)Std. InChIKey: FAFGMAGIYHHRKN-UHFFFAOYSA-N

Packinggroup: III
Storage Temperature: Freezer
Sensitive: Air Sensitive
Safety Data
Hazard Symbols Xi:Irritant
 

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