166172-66-3
(R)-1-[(SP)-2-[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINO]FERROCENYL]ETHYLDI(3,5-XYLYL)PHOSPHINE
Name(R)-1-[(SP)-2-[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINO]FERROCENYL]ETHYLDI(3,5-XYLYL)PHOSPHINE
FormulaC39 H31 F12 P2 . C5 H5 . Fe
1Identification
【Name】
(R)-1-[(SP)-2-[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINO]FERROCENYL]ETHYLDI(3,5-XYLYL)PHOSPHINE
【CAS】
【MDL】
MFCD08561153
【English Synonyms】
【Formula】
C39 H31 F12 P2 . C5 H5 . Fe
【MolWeight】
910.537
【Inchi】
InChI=1S/C39H31F12P2.C5H5.Fe/c1-21-9-22(2)12-30(11-21)52(31-13-23(3)10-24(4)14-31)25(5)34-7-6-8-35(34)53(32-17-26(36(40,41)42)15-27(18-32)37(43,44)45)33-19-28(38(46,47)48)16-29(20-33)39(49,50)51;1-2-4-5-3-1;/h6-20,25H,1-5H3;1-5H;/t25-;;/m1../s1
【InChIKey】
InChIKey=OPQIIHGMWPUTDC-KHZPMNTOSA-N
【SMILES】
Cc1cc(cc(c1)P(c2cc(cc(c2)C)C)[C@H](C)[C]3[CH][CH][CH][C]3P(c4cc(cc(c4)C(F)(F)F)C(F)(F)F)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)C.[CH]1[CH][CH][CH][CH]1.[Fe]
【MOL File】
(R)-1-[(SP)-2-[BIS[3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:15.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
(R)-1-[(SP)-2-[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINO]FERROCENYL]ETHYLDI(3,5-XYLYL)PHOSPHINE.cml