880136-41-4
[(R)-4,12-BIS[DI(3,5-XYLYL)PHOSPHINO][2.2]PARACYCLOPHANE](1,5-CYCLOOCTADIENE)RHODIUM(I) TETRAFLUOROBORATE
Name[(R)-4,12-BIS[DI(3,5-XYLYL)PHOSPHINO][2.2]PARACYCLOPHANE](1,5-CYCLOOCTADIENE)RHODIUM(I) TETRAFLUOROBORATE
FormulaC48 H50 P2 . C8 H12 . B F4 . Rh
1Identification
【Name】
[(R)-4,12-BIS[DI(3,5-XYLYL)PHOSPHINO][2.2]PARACYCLOPHANE](1,5-CYCLOOCTADIENE)RHODIUM(I) TETRAFLUOROBORATE
【CAS】
【MDL】
MFCD16294985
【English Synonyms】
【Formula】
C48 H50 P2 . C8 H12 . B F4 . Rh
【MolWeight】
986.767
【Inchi】
InChI=1S/C48H50P2.C8H12.BF4.Rh/c1-31-17-32(2)22-43(21-31)49(44-23-33(3)18-34(4)24-44)47-29-39-9-13-41(47)15-11-40-10-14-42(16-12-39)48(30-40)50(45-25-35(5)19-36(6)26-45)46-27-37(7)20-38(8)28-46;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3;1-2,7-8H,3-6H2;;/q;;-1;+1/b;2-1-,8-7-;;
【InChIKey】
InChIKey=FQCYPZVLPSIHFY-ONEVTFJLSA-N
【SMILES】
[B-](F)(F)(F)F.Cc1cc(cc(c1)P(c2cc(cc(c2)C)C)c3cc4ccc3CCc5ccc(c(c5)P(c6cc(cc(c6)C)C)c7cc(cc(c7)C)C)CC4)C.C/1C/C=C\CC/C=C1.[Rh+]
【MOL File】
[(R)-4,12-BIS[DI(3,5….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)
4CML File
[(R)-4,12-BIS[DI(3,5-XYLYL)PHOSPHINO][2.2]PARACYCLOPHANE](1,5-CYCLOOCTADIENE)RHODIUM(I) TETRAFLUOROBORATE.cml