Basic Information |
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| Product Name： | BIS(1,5-CYCLOOCTADIENE)IRIDIUM(I) TETRAKIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BORATE |
| CAS： | 666826-16-0 |
| English Synonyms： | BIS(CYCLOOCTADIENE)IRIDIUM(I) TETRAKIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)BORATE ; BIS(1,5-CYCLOOCTADIENE)IRIDIUM(I) TETRAKIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]BORATE ; BIS(CYCLOOCTADIENE)IRIDIUM(I)(TETRAKIS-[3,5-BIS(TRIFLUORMETHYL)PHENYL]BORATE) |
| MDL Number.： | MFCD10567389 |
| H bond acceptor： | 0 |
| H bond donor： | 0 |
| Smile： | [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+] |
| 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 |
Property |
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| Comments： | APPLICATION: CATALYST FOR: ASYMMETRIC HYDROGENATION REACTIONS. DIRECTED CYCLODEHYDRATION REACTION. DIRECT PRENYLATION VIA C-H OXIDATIVE ADDITION-ALLENE INSERTION. DOUBLE INTRAMOLECULAR HYDROALKOXYLATION. INTRAMOLECULAR HYDROAMINATION REACTIONS. DIRECTED C-H BOND CLEAVAGE. IMINE VINYLATION REACTIONS UMICORE PRECATALYSTS FOR ASYMMETRIC AND CROSS-COUPLING CATALYSIS UNSPSC: 12352103 WGK: 3 |
Safety information |
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| Symbol： |
GHS07
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| Signal word： | Warning |
| Hazard statements： | H315-H319-H335 |
| Precautionary statements： | P261-P305 + P351 + P338 |
| hazard symbol： | Xi |
| Risk Code： | R:36/37/38 |
| Safe Code： | S:26 |
| WGK Germany： | 3 |
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