72450-51-2
TRIPHENYLPHOSPHONIUM ANHYDRIDE TRIFLUOROMETHANESULFONATE
NameTRIPHENYLPHOSPHONIUM ANHYDRIDE TRIFLUOROMETHANESULFONATE
FormulaC36 H30 O P2 . 2 C F3 O3 S
1Identification
【Name】
TRIPHENYLPHOSPHONIUM ANHYDRIDE TRIFLUOROMETHANESULFONATE
【CAS】
【MDL】
MFCD16876580
【English Synonyms】
【Formula】
C36 H30 O P2 . 2 C F3 O3 S
【MolWeight】
838.716
【Inchi】
InChI=1S/C36H30OP2.2CHF3O3S/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;2*2-1(3,4)8(5,6)7/h1-30H;2*(H,5,6,7)/q+2;;/p-2
【InChIKey】
InChIKey=XYOGBCBYMIAUAB-UHFFFAOYSA-L
【SMILES】
c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)O[P+](c4ccccc4)(c5ccccc5)c6ccccc6.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
【MOL File】
TRIPHENYLPHOSPHONIUM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRIPHENYLPHOSPHONIUM ANHYDRIDE TRIFLUOROMETHANESULFONATE.cml