CAS No.52522-40-4,Tris(dibenzylideneacetone)dipalladium-chloroform adduct Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52522-40-4
Name:	Tris(dibenzylideneacetone)dipalladium-chloroform adduct
Article Data:	3

Formula:	C₅₂H₄₃Cl₃O₃Pd₂
Molecular Weight:	1035.11
Synonyms:	Tris(dibenzylideneacetone)di palladium(0) chloroform adduct;Tris(dibenylideneacetone)dipalladium-chloroform;Tris(dibenzylideneacetone)dipalladium(0)-chloroform;Dipalladiumtris(dibenzylideneacetone) chloroform adduct;
EINECS:	-0
Melting Point:	131-135 °C(lit.)
Boiling Point:	400.7 °C at 760 mmHg
Flash Point:	176.2 °C
Solubility:	Soluble in organic solvents. Insoluble in water.
Appearance:	purple to black crystalline powder
Hazard Symbols:	Xn,Xi
Risk Codes:	40-48/20/22-36/37/38
Safety:	36/37/39-26
PSA:	51.21000
LogP:	13.93330

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Specification

The Tris(dibenzylideneacetone)dipalladium-chloroform adduct, with the CAS registry number 52522-40-4, is also known as Dipalladiumtris(dibenzylideneacetone) chloroform adduct. It belongs to the product categories of Metal Compounds; Organometallic complexes. This chemical's molecular formula is C₅₂H₄₃Cl₃O₃Pd₂ and molecular weight is 1035.09. What's more, its systematic name is 1,2,4,5-pentanetetrayl, 3-oxo-1,5-diphenyl-, compd. with trichloromethane, palladium salt. It should be sealed and stored at the temperature of 0 - 6 °C. It is used as a catalyst in the coupling reaction, such as Suzuki, Kumada, Negishi, Buchwald reaction.

Physical properties of Tris(dibenzylideneacetone)dipalladium-chloroform adduct are: (1)ACD/LogP: 4.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2972; (6)ACD/BCF (pH 7.4): 2972; (7)ACD/KOC (pH 5.5): 10655; (8)ACD/KOC (pH 7.4): 10655; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Flash Point: 176.2 °C; (14)Enthalpy of Vaporization: 65.16 kJ/mol; (15)Boiling Point: 400.7 °C at 760 mmHg; (16)Vapour Pressure: 1.25E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful as it has a danger of serious damage to health by prolonged exposure through inhalation and if swallowed. It has a limited evidence of a carcinogenic effect. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [Pd].[Pd].ClC(Cl)Cl.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2
(2)Std. InChI: InChI=1S/3C17H14O.CHCl3.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h3*1-14H;1H;;/b3*13-11+,14-12+;;;
(3)Std. InChIKey: LNAMMBFJMYMQTO-FNEBRGMMSA-N

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