849925-22-0
(S)-1-[(SP)-2-[2-(DICYCLOHEXYLPHOSPHINO)PHENYL]FERROCENYL]ETHYLBIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE
Name(S)-1-[(SP)-2-[2-(DICYCLOHEXYLPHOSPHINO)PHENYL]FERROCENYL]ETHYLBIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE
FormulaC41 H39 F12 P2 . C5 H5 . Fe
1Identification
【Name】
(S)-1-[(SP)-2-[2-(DICYCLOHEXYLPHOSPHINO)PHENYL]FERROCENYL]ETHYLBIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE
【CAS】
【MDL】
MFCD08561127
【English Synonyms】
【Formula】
C41 H39 F12 P2 . C5 H5 . Fe
【MolWeight】
942.623
【Inchi】
InChI=1S/C41H39F12P2.C5H5.Fe/c1-25(34-16-10-17-35(34)36-15-8-9-18-37(36)55(30-11-4-2-5-12-30)31-13-6-3-7-14-31)54(32-21-26(38(42,43)44)19-27(22-32)39(45,46)47)33-23-28(40(48,49)50)20-29(24-33)41(51,52)53;1-2-4-5-3-1;/h8-10,15-25,30-31H,2-7,11-14H2,1H3;1-5H;/t25-;;/m0../s1
【InChIKey】
InChIKey=XSNPQORPLUHYID-WLOLSGMKSA-N
【SMILES】
C[C@@H]([C]1[CH][CH][CH][C]1c2ccccc2P(C3CCCCC3)C4CCCCC4)P(c5cc(cc(c5)C(F)(F)F)C(F)(F)F)c6cc(cc(c6)C(F)(F)F)C(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe]
【MOL File】
(S)-1-[(SP)-2-[2-(DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:17.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
(S)-1-[(SP)-2-[2-(DICYCLOHEXYLPHOSPHINO)PHENYL]FERROCENYL]ETHYLBIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE.cml