326475-44-9
BIS[TRIS(4-(HEPTADECAFLUOROOCTYL)PHENYL)PHOSPHINE]PALLADIUM(II) DICHLORIDE
NameBIS[TRIS(4-(HEPTADECAFLUOROOCTYL)PHENYL)PHOSPHINE]PALLADIUM(II) DICHLORIDE
FormulaC42 H14 F49 P . C42 H12 F51 P . Cl2 Pd
1Identification
【Name】
BIS[TRIS(4-(HEPTADECAFLUOROOCTYL)PHENYL)PHOSPHINE]PALLADIUM(II) DICHLORIDE
【CAS】
【MDL】
MFCD04040059
【English Synonyms】
【Formula】
C42 H14 F49 P . C42 H12 F51 P . Cl2 Pd
【MolWeight】
3174.2
【Inchi】
InChI=1S/C42H12F51P.C42H14F49P.2ClH.Pd/c43-19(44,22(49,50)25(55,56)28(61,62)31(67,68)34(73,74)37(79,80)40(85,86)87)13-1-7-16(8-2-13)94(17-9-3-14(4-10-17)20(45,46)23(51,52)26(57,58)29(63,64)32(69,70)35(75,76)38(81,82)41(88,89)90)18-11-5-15(6-12-18)21(47,48)24(53,54)27(59,60)30(65,66)33(71,72)36(77,78)39(83,84)42(91,92)93;43-20(44,13-21(45,46)26(55,56)37(77,78)40(83,84)85)25(53,54)22(47,48)14-1-7-17(8-2-14)92(18-9-3-15(4-10-18)23(49,50)27(57,58)29(61,62)31(65,66)33(69,70)35(73,74)38(79,80)41(86,87)88)19-11-5-16(6-12-19)24(51,52)28(59,60)30(63,64)32(67,68)34(71,72)36(75,76)39(81,82)42(89,90)91;;;/h1-12H;1-12H,13H2;2*1H;/q;;;;+2/p-2
【InChIKey】
InChIKey=IYLQGUPYTFHEPL-UHFFFAOYSA-L
【SMILES】
c1cc(ccc1C(C(C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)P(c2ccc(cc2)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c3ccc(cc3)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.c1cc(ccc1C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)P(c2ccc(cc2)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c3ccc(cc3)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Cl[Pd]Cl
【MOL File】
BIS[TRIS(4-(HEPTADEC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:28.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BIS[TRIS(4-(HEPTADECAFLUOROOCTYL)PHENYL)PHOSPHINE]PALLADIUM(II) DICHLORIDE.cml