53217-60-0
7-(4-CHLOROPHENYL)-5,6,8,9-TETRAHYDRODIBENZO(C,H)XANTHYLIUM TETRAFLUOROBORATE
Name7-(4-CHLOROPHENYL)-5,6,8,9-TETRAHYDRODIBENZO(C,H)XANTHYLIUM TETRAFLUOROBORATE
FormulaC27 H20 Cl O . B F4
1Identification
【Name】
7-(4-CHLOROPHENYL)-5,6,8,9-TETRAHYDRODIBENZO(C,H)XANTHYLIUM TETRAFLUOROBORATE
【CAS】
【MDL】
MFCD00134750
【English Synonyms】
【Formula】
C27 H20 Cl O . B F4
【MolWeight】
482.71
【Inchi】
InChI=1S/C27H20ClO.BF4/c28-20-13-9-19(10-14-20)25-23-15-11-17-5-1-3-7-21(17)26(23)29-27-22-8-4-2-6-18(22)12-16-24(25)27;2-1(3,4)5/h1-10,13-14H,11-12,15-16H2;/q+1;-1
【InChIKey】
InChIKey=UCANRENSQBWTOR-UHFFFAOYSA-N
【SMILES】
[B-](F)(F)(F)F.c1ccc-2c(c1)CCc3c2[o+]c-4c(c3c5ccc(cc5)Cl)CCc6c4cccc6
【MOL File】
7-(4-CHLOROPHENYL)-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(4-CHLOROPHENYL)-5,6,8,9-TETRAHYDRODIBENZO(C,H)XANTHYLIUM TETRAFLUOROBORATE.cml