776230-17-2
ACETONITRILEBIS[2-DIPHENYLPHOSPHINO-6-T-BUTYLPYRIDINE]CYCLOPENTADIENYLRUTHENIUM(II) HEXAFLUOROPHOSPHATE
NameACETONITRILEBIS[2-DIPHENYLPHOSPHINO-6-T-BUTYLPYRIDINE]CYCLOPENTADIENYLRUTHENIUM(II) HEXAFLUOROPHOSPHATE
Formula2 C21 H22 N P . C5 H5 . C2 H3 N . F6 P . Ru
1Identification
【Name】
ACETONITRILEBIS[2-DIPHENYLPHOSPHINO-6-T-BUTYLPYRIDINE]CYCLOPENTADIENYLRUTHENIUM(II) HEXAFLUOROPHOSPHATE
【CAS】
【MDL】
MFCD06798306
【English Synonyms】
【Formula】
2 C21 H22 N P . C5 H5 . C2 H3 N . F6 P . Ru
【MolWeight】
990.951
【Inchi】
InChI=1S/2C21H22NP.C5H5.C2H3N.F6P.Ru/c2*1-21(2,3)19-15-10-16-20(22-19)23(17-11-6-4-7-12-17)18-13-8-5-9-14-18;1-2-4-5-3-1;1-2-3;1-7(2,3,4,5)6;/h2*4-16H,1-3H3;1-5H;1H3;;/q;;;;-1;+1
【InChIKey】
InChIKey=AXQWMDPYCAATQV-UHFFFAOYSA-N
【SMILES】
CC#N.CC(C)(C)c1cccc(n1)P(c2ccccc2)c3ccccc3.CC(C)(C)c1cccc(n1)P(c2ccccc2)c3ccccc3.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Ru+]
【MOL File】
ACETONITRILEBIS[2-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACETONITRILEBIS[2-DIPHENYLPHOSPHINO-6-T-BUTYLPYRIDINE]CYCLOPENTADIENYLRUTHENIUM(II) HEXAFLUOROPHOSPHATE.cml