109414-72-4
2-METHYL-2,A,A,A',A'-PENTAPHENYL-1,3-DIOXOLANE-4,5-DIMETHANOLATOTITANIUM DICHLORIDE
Name2-METHYL-2,A,A,A',A'-PENTAPHENYL-1,3-DIOXOLANE-4,5-DIMETHANOLATOTITANIUM DICHLORIDE
1Identification
【Name】
2-METHYL-2,A,A,A',A'-PENTAPHENYL-1,3-DIOXOLANE-4,5-DIMETHANOLATOTITANIUM DICHLORIDE
【CAS】
【MDL】
MFCD16876571
【English Synonyms】
【Formula】
C36 H30 Cl2 O4 Ti
【MolWeight】
645.402
【Inchi】
InChI=1S/C36H30O4.2ClH.Ti/c1-34(27-17-7-2-8-18-27)39-32(35(37,28-19-9-3-10-20-28)29-21-11-4-12-22-29)33(40-34)36(38,30-23-13-5-14-24-30)31-25-15-6-16-26-31;;;/h2-26,32-33H,1H3;2*1H;/q-2;;;+4/p-2
【InChIKey】
InChIKey=DNIRMIGUWMEZEI-UHFFFAOYSA-L
【SMILES】
CC1(OC2C(O1)C(O[Ti](OC2(c3ccccc3)c4ccccc4)(Cl)Cl)(c5ccccc5)c6ccccc6)c7ccccc7
【MOL File】
2-METHYL-2,A,A,A',A'….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-2,A,A,A',A'-PENTAPHENYL-1,3-DIOXOLANE-4,5-DIMETHANOLATOTITANIUM DICHLORIDE.cml