930796-10-4
CHLORO[[1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOL-2-YLIDENE](N,N-DIMETHYLBENZYLAMINE)PALLADIUM(II)]
NameCHLORO[[1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOL-2-YLIDENE](N,N-DIMETHYLBENZYLAMINE)PALLADIUM(II)]
1Identification
【Name】
CHLORO[[1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOL-2-YLIDENE](N,N-DIMETHYLBENZYLAMINE)PALLADIUM(II)]
【CAS】
【MDL】
MFCD15072151
【English Synonyms】
【Formula】
C36 H48 Cl N3 Pd
【MolWeight】
664.669
【Inchi】
InChI=1S/C27H36N2.C9H12N.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-10(2)8-9-6-4-3-5-7-9;;/h9-16,18-21H,1-8H3;3-6H,8H2,1-2H3;1H;/q;;;+1/p-1
【InChIKey】
InChIKey=LGKQVRCVZIMJGN-UHFFFAOYSA-M
【SMILES】
CC(C)c1cccc(c1n2ccn(c2=[Pd](c3ccccc3CN(C)C)Cl)c4c(cccc4C(C)C)C(C)C)C(C)C
【MOL File】
CHLORO[[1,3-BIS(2,6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:11.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CHLORO[[1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOL-2-YLIDENE](N,N-DIMETHYLBENZYLAMINE)PALLADIUM(II)].cml