36965-71-6
5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHYRIN IRON(III) CHLORIDE
Name5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHYRIN IRON(III) CHLORIDE
FormulaC44 H8 Cl F20 Fe N4
1Identification
【Name】
5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHYRIN IRON(III) CHLORIDE
【CAS】
【MDL】
MFCD00012151
【English Synonyms】
【Formula】
C44 H8 Cl F20 Fe N4
【MolWeight】
1063.83
【Inchi】
InChI=1S/C44H8F20N4.ClH.Fe/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50;;/h1-8H;1H;/q-2;;+3/p-1/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+;;
【InChIKey】
InChIKey=RVNJZXLLVARDGN-VTVSBRCESA-M
【SMILES】
c1cc2/c(c/3\nc(/c(c\4/cc/c5/n4[Fe](n2c1/c(c/6\nc(\c5\c7c(c(c(c(c7F)F)F)F)F)C=C6)/c8c(c(c(c(c8F)F)F)F)F)Cl)/c9c(c(c(c(c9F)F)F)F)F)C=C3)/c1c(c(c(c(c1F)F)F)F)F
【MOL File】
5,10,15,20-TETRAKIS(….mol
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)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
5,10,15,20-TETRAKIS(PENTAFLUOROPHENYL)-21H,23H-PORPHYRIN IRON(III) CHLORIDE.cml