729572-33-2
(S,S)-KELLIPHITE
FormulaC60 H72 O4 P2 . 2 C2 H3 N
1Identification
【Name】
(S,S)-KELLIPHITE
【CAS】
【MDL】
MFCD09753002
【English Synonyms】
(R,R)-(-)-6,6'-[(1,1'-BIPHENYL-2,2'-DIYL)]BIS[4,8-DI-T-BUTYL-1,2,10,11-TETRAMETHYL]DIBENZO[D,F][1,3,2]DIOXAPHOSPHEPIN, BISACETONITRILE ADDUCT
(S,S)-(+)-6,6'-[(1,1'-BIPHENYL-2,2'-DIYL)]BIS[4,8-DI-T-BUTYL-1,2,10,11-TETRAMETHYL]DIBENZO[D,F][1,3,2]DIOXAPHOSPHEPIN BISACETONITRILE ADDUCT
(S,S)-(+)-6,6'-[(1,1'-BIPHENYL-2,2'-DIYL)]BIS[4,8-DI-T-BUTYL-1,2,10,11-TETRAMETHYL]DIBENZO[D,F][1,3,2]DIOXAPHOSPHEPINE BIS-ACETONITRILE ADDUCT
(R,R)-(-)-6,6'-[(1,1'-BIPHENYL-2,2'-DIYL)]BIS[4,8-DI-T-BUTYL-1,2,10,11-TETRAMETHYL]DIBENZO[D,F][1,3,2]DIOXAPHOSPHEPINE BIS-ACETONITRILE ADDUCT
(S,S)-(+)-6,6'-[(1,1'-BIPHENYL-2,2'-DIYL)BIS(OXY)] BIS[4,8-DI-T-BUTYL-1,2,10,11-TETRAMETHYL]DIBENZO[D,F][1,3,2]DIOXAPHOSPHEPIN BISACETONITRILE ADDUCT
【Formula】
C60 H72 O4 P2 . 2 C2 H3 N
【MolWeight】
1001.28
【Inchi】
InChI=1S/C60H72O4P2.2C2H3N/c1-33-29-43(57(9,10)11)53-49(37(33)5)50-38(6)34(2)30-44(58(12,13)14)54(50)62-65(61-53)47-27-23-21-25-41(47)42-26-22-24-28-48(42)66-63-55-45(59(15,16)17)31-35(3)39(7)51(55)52-40(8)36(4)32-46(56(52)64-66)60(18,19)20;2*1-2-3/h21-32H,1-20H3;2*1H3
【InChIKey】
InChIKey=VMAFAOPTGOZYNG-UHFFFAOYSA-N
【SMILES】
CC#N.CC#N.Cc1cc(c2c(c1C)c3c(c(cc(c3op(o2)c4ccccc4c5ccccc5p6oc7c(cc(c(c7c8c(c(cc(c8o6)C(C)(C)C)C)C)C)C)C(C)(C)C)C(C)(C)C)C)C)C(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(S,S)-KELLIPHITE.cml