502964-53-6
CHLORO(ETA2-P,C-TRIS(2,4-DI-TERT-BUTYLPHENYL)PHOSPHITE)(TRICYCLOHEXYLPHOSPHINE)PALLADIUM(II)
NameCHLORO(ETA2-P,C-TRIS(2,4-DI-TERT-BUTYLPHENYL)PHOSPHITE)(TRICYCLOHEXYLPHOSPHINE)PALLADIUM(II)
FormulaC42 H62 Cl O3 P Pd . C18 H33 O3 P
1Identification
【Name】
CHLORO(ETA2-P,C-TRIS(2,4-DI-TERT-BUTYLPHENYL)PHOSPHITE)(TRICYCLOHEXYLPHOSPHINE)PALLADIUM(II)
【CAS】
【MDL】
MFCD09265035
【English Synonyms】
【Formula】
C42 H62 Cl O3 P Pd . C18 H33 O3 P
【MolWeight】
1116.23
【Inchi】
InChI=1S/C42H62O3P.C18H33O3P.ClH.Pd/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18;1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;;/h19-23,25-27H,1-18H3;16-18H,1-15H2;1H;/q;;;+1/p-1
【InChIKey】
InChIKey=OGSSVVKKGNIFNJ-UHFFFAOYSA-M
【SMILES】
CC(C)(C)c1ccc(c(c1)C(C)(C)C)OP(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)Oc3c(cc(cc3[Pd]Cl)C(C)(C)C)C(C)(C)C.C1CCC(CC1)OP(OC2CCCCC2)OC3CCCCC3
【MOL File】
CHLORO(ETA2-P,C-TRIS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:18.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CHLORO(ETA2-P,C-TRIS(2,4-DI-TERT-BUTYLPHENYL)PHOSPHITE)(TRICYCLOHEXYLPHOSPHINE)PALLADIUM(II).cml