11,12-BIS[N-(I-PROPYL)-1H-BENZIMIDAZOLIUM-3-METHYLENE]-9,10-DIHYDRO-9,10-ETHANOANTHRACENE BIS(TRIFLUOROMETHANESULFONATE)

CAS No.
958004-12-1
CCD No.
CCD01000698
Formula
C38 H40 N4 . 2 C F3 O3 S
MolWeight
850.898

Basic Information

Product Name: 11,12-BIS[N-(I-PROPYL)-1H-BENZIMIDAZOLIUM-3-METHYLENE]-9,10-DIHYDRO-9,10-ETHANOANTHRACENE BIS(TRIFLUOROMETHANESULFONATE)
CAS: 958004-12-1
English Synonyms: 11,12-BIS[N-(I-PROPYL)-1H-BENZIMIDAZOLIUM-3-METHYLENE]-9,10-DIHYDRO-9,10-ETHANOANTHRACENE BIS(TRIFLUOROMETHANESULFONATE)
MDL Number.: MFCD11045081
H bond acceptor: 4
H bond donor: 0
Smile: CC(C)n1c[n+](c2c1cccc2)CC3C([C@@H]4c5ccccc5[C@H]3c6c4cccc6)C[n+]7cn(c8c7cccc8)C(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
InChi: InChI=1S/C38H40N4.2CHF3O3S/c1-25(2)41-23-39(33-17-9-11-19-35(33)41)21-31-32(22-40-24-42(26(3)4)36-20-12-10-18-34(36)40)38-29-15-7-5-13-27(29)37(31)28-14-6-8-16-30(28)38;2*2-1(3,4)8(5,6)7/h5-20,23-26,31-32,37-38H,21-22H2,1-4H3;2*(H,5,6,7)/q+2;;/p-2/t31?,32?,37-,38+;;
InChiKey: InChIKey=DLFURDTTZFUCIY-YFYHNDLSSA-L

Property

Comments: FORM: WHITE TO OFF-WHITE POWDER
SOLD UNDER LICENSE FROM UFRFI FOR RESEARCH PURPOSES ONLY. PATENT APPLICATION PCT/US2008/054137. NHC LIGAND KIT 4: BIS CARBENES KIT COMPONENT

Safety information

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