666826-16-0
BIS(1,5-CYCLOOCTADIENE)IRIDIUM(I) TETRAKIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BORATE
NameBIS(1,5-CYCLOOCTADIENE)IRIDIUM(I) TETRAKIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BORATE
FormulaC32 H12 B F24 . 2 C8 H12 . Ir
1Identification
【Name】
BIS(1,5-CYCLOOCTADIENE)IRIDIUM(I) TETRAKIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BORATE
【CAS】
【MDL】
MFCD10567389
【English Synonyms】
【Formula】
C32 H12 B F24 . 2 C8 H12 . Ir
【MolWeight】
1271.8
【Inchi】
InChI=1S/C32H12BF24.2C8H12.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;2*1-2-4-6-8-7-5-3-1;/h1-12H;2*1-2,7-8H,3-6H2;/q-1;;;+1/b;2*2-1-,8-7-;
【InChIKey】
InChIKey=YQXKTVMJDKWGHI-AUUWQFPRSA-N
【SMILES】
[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4cc(cc(c4)C(F)(F)F)C(F)(F)F.C/1C/C=C\CC/C=C1.C/1C/C=C\CC/C=C1.[Ir+]
【MOL File】
BIS(1,5-CYCLOOCTADIE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:14.0
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
BIS(1,5-CYCLOOCTADIENE)IRIDIUM(I) TETRAKIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BORATE.cml